acrocinonide (Q27264156)

Acrocinonide (English)

18 November 2016

chemical formula

C₂₄H₂₉FO₆

1 reference

Acrocinonide (English)

18 November 2016

canonical SMILES

CC12CC(C3(C(C1CC4C2(OC(O4)C=C)C(=O)CO)CCC5=CC(=O)C=CC53C)F)O

1 reference

Acrocinonide (English)

18 November 2016

isomeric SMILES

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)C=C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O

1 reference

Acrocinonide (English)

InChI=1S/C24H29FO6/c1-4-20-30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,2)23(15,25)17(28)11-22(16,3)24(19,31-20)18(29)12-26/h4,7-9,15-17,19-20,26,28H,1,5-6,10-12H2,2-3H3/t15-,16-,17-,19+,20?,21-,22-,23-,24+/m0/s1

18 November 2016

Identifiers

InChI

1 reference

Acrocinonide (English)

18 November 2016

1 reference

Global Substance Registration System

Acrocinonide (English)

18 November 2016

2 references

UNII

67N58AU0IZ

acrocinonide (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=28971-58-6

10 April 2021

1 reference

acrocinonide (English)

14 October 2016

2 references

Acrocinonide (English)

matched by identifier from

18 November 2016

1 reference

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

ACROCINONIDE (English)

18 November 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

67N58AU0IZ

acrocinonide (English)

matched by identifier from

18 November 2016