equilin sulfate (Q27276102)

Equilin sulfate (English)

14 October 2016

chemical formula

C₁₈H₂₀O₅S

1 reference

Equilin sulfate (English)

14 October 2016

canonical SMILES

CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O

1 reference

Equilin sulfate (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)[C@@H]1CCC2=O

1 reference

Equilin sulfate (English)

InChI=1S/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,18+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Equilin sulfate (English)

14 October 2016

1 reference

Global Substance Registration System

Equilin sulfate (English)

14 October 2016

1 reference

UNII

D507VOE6VN

equilin sulfate (English)

14 October 2016

1 reference

17-Oxoestra-1,3,5(10),7-tetraen-3-yl hydrogen sulfate (English)

14 October 2016

2 references

Equilin sulfate (English)

matched by identifier from

14 October 2016

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

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

D507VOE6VN

equilin sulfate (English)

matched by identifier from

14 October 2016