1-phenyl-1,3-octadecanedione (Q27281636)

1-Phenyloctadecane-1,3-dione (English)

14 October 2016

chemical formula

C₂₄H₃₈O₂

1 reference

1-Phenyloctadecane-1,3-dione (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

1 reference

1-Phenyloctadecane-1,3-dione (English)

InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3

14 October 2016

Identifiers

InChI

1 reference

1-Phenyloctadecane-1,3-dione (English)

14 October 2016

1 reference

Global Substance Registration System

1-Phenyloctadecane-1,3-dione (English)

14 October 2016

2 references

1-phenyl-1,3-octadecanedione (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=17281-74-2

10 April 2021

1 reference

1-Phenyl-1,3-octadecanedione (English)

14 October 2016

2 references

1-Phenyloctadecane-1,3-dione (English)

14 October 2016

ChEBI ID

177396

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3

SureChEMBL ID

SCHEMBL599568

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID3091901

0 references

EC number

241-313-4

1 reference

Global Substance Registration System

1-phenyl-1,3-octadecanedione (English)

ECHA Substance Infocard ID

14 October 2016

100.037.542

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.037.542

27 December 2018

Human Metabolome Database ID

1-phenyloctadecane-1,3-dione (English)

quotation

CAS no.: 17281-74-2 (English)

HMDB0035583

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

1-phenyl-1,3-octadecanedione (English)

14 October 2016