β-estradiol dibenzoate (Q27263908)

UNII-65W00I5071 (English)

14 October 2016

chemical formula

C₃₂H₃₂O₄

1 reference

UNII-65W00I5071 (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6

1 reference

UNII-65W00I5071 (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6

1 reference

UNII-65W00I5071 (English)

InChI=1S/C32H32O4/c1-32-19-18-26-25-15-13-24(35-30(33)21-8-4-2-5-9-21)20-23(25)12-14-27(26)28(32)16-17-29(32)36-31(34)22-10-6-3-7-11-22/h2-11,13,15,20,26-29H,12,14,16-19H2,1H3/t26-,27-,28+,29+,32+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-65W00I5071 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-65W00I5071 (English)

14 October 2016

1 reference

UNII

65W00I5071

β-estradiol dibenzoate (English)

14 October 2016

1 reference

Estradiol dibenzoate (English)

14 October 2016

2 references

UNII-65W00I5071 (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

65W00I5071

β-estradiol dibenzoate (English)

matched by identifier from

14 October 2016