3β-hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole (Q27277415)

UNII-EXQ915206O (English)

14 October 2016

chemical formula

C₂₃H₃₄O₅S₂

1 reference

UNII-EXQ915206O (English)

14 October 2016

canonical SMILES

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(SCC(=O)O)SCC(=O)O)C)O

1 reference

UNII-EXQ915206O (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(SCC(=O)O)SCC(=O)O)C)O

1 reference

UNII-EXQ915206O (English)

InChI=1S/C23H34O5S2/c1-21-8-5-15(24)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,29-12-19(25)26)30-13-20(27)28/h3,15-18,24H,4-13H2,1-2H3,(H,25,26)(H,27,28)/t15-,16+,17-,18-,21-,22-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-EXQ915206O (English)

BPKFRRUYPHJVMX-ASOAYHERSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-EXQ915206O (English)

14 October 2016

1 reference

UNII

EXQ915206O

3β-hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole (English)

14 October 2016

1 reference

2,2'-{[(3beta)-3-Hydroxyandrost-5-ene-17,17-diyl]disulfanediyl}diacetic acid (English)

14 October 2016

1 reference

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

UNII-EXQ915206O (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

EXQ915206O

3β-hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole (English)