phenyl hydrogen sulfate (Q27103399)

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chemical compound

• phenylsulfate
• Phenol sulfate
• phenyl hydrogen sulphate
• Aryl sulphate
• Aryl sulfate
• phenyloxidanesulfonic acid
• phenylsulphate
• Sulfuric acid, monophenyl ester

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Language	Label	Description	Also known as
English	phenyl hydrogen sulfate	chemical compound	phenylsulfate Phenol sulfate phenyl hydrogen sulphate Aryl sulphate Aryl sulfate phenyloxidanesulfonic acid phenylsulphate Sulfuric acid, monophenyl ester

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Phenyl-sulfuric acid.png
1,140 × 555; 23 KB

0 references

mass

173.999±0 dalton

1 reference

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

conjugate base

phenyl sulfate

0 references

chemical formula

C₆H₆O₄S

1 reference

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

canonical SMILES

C1=CC=C(C=C1)OS(=O)(=O)O

1 reference

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

Identifiers

InChI

InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

1 reference

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

937-34-8

2 references

stated in

ChEBI

ChEBI ID

27905

language of work or name

English

title

phenyl hydrogen sulfate (English)

retrieved

5 October 2016

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=937-34-8

ChemSpider ID

67018

1 reference

stated in

ChemSpider

ChemSpider ID

67018

language of work or name

English

title

Phenyl hydrogen sulfate (English)

retrieved

5 October 2016

PubChem CID

74426

1 reference

stated in

PubChem

PubChem CID

74426

language of work or name

English

title

Phenylsulfate (English)

retrieved

5 October 2016

Reaxys registry number

2047161

1 reference

stated in

ChEBI

ChEBI ID

27905

language of work or name

English

title

phenyl hydrogen sulfate (English)

retrieved

5 October 2016

ChEBI ID

27905

mapping relation type

exact match

1 reference

stated in

ChEBI

ChEBI ID

27905

language of work or name

English

title

phenyl hydrogen sulfate (English)

retrieved

5 October 2016

UniChem compound ID

1070166

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-MSSJ-MSJ00841

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00842

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00843

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00844

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00845

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00846

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-MSSJ-MSJ00847

1 reference

InChIKey

CTYRPMDGLDAWRQ-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

DSSTox substance ID

DTXSID50239545

1 reference

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID00162036

0 references

DrugBank ID

14667

1 reference

stated in

DrugBank

DrugBank ID

14667

retrieved

6 July 2021

quotation

CAS no.: 937-34-8 (English)

title

Phenyl hydrogen sulfate (English)

Human Metabolome Database ID

HMDB0060015

1 reference

based on heuristic

inferred from InChIKey

UNII

2L4RKM5351

1 reference

stated in

Global Substance Registration System

UNII

2L4RKM5351

language of work or name

English

title

PHENYL HYDROGEN SULFATE (English)

retrieved

5 October 2016

Probes And Drugs ID

PD094431

0 references

KEGG ID

C02180

0 references

 

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