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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO4S
Molecular Weight 375.482
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHINYLESTRADIOL SULFAMATE

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=CC=C(OS(N)(=O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=FIILGZCJKYBWGS-SLHNCBLASA-N
InChI=1S/C20H25NO4S/c1-3-20(22)11-9-18-17-6-4-13-12-14(25-26(21,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,22H,4,6,8-11H2,2H3,(H2,21,23,24)/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO4S
Molecular Weight 375.482
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8MM253B4X2
Record Status Validated (UNII)
Record Version