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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO5S
Molecular Weight 367.46
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRIOL SULFAMATE

SMILES

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

InChI

InChIKey=VGHIBOFCBWMZNZ-ZXXIGWHRSA-N
InChI=1S/C18H25NO5S/c1-18-7-6-13-12-5-3-11(24-25(19,22)23)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3,(H2,19,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO5S
Molecular Weight 367.46
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8VUN4GN4UP
Record Status Validated (UNII)
Record Version