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Details

Stereochemistry EPIMERIC
Molecular Formula C19H17NO3S
Molecular Weight 339.408
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAZAROTENIC ACID SULFOXIDE

SMILES

CC1(C)CC[S+]([O-])C2=C1C=C(C=C2)C#CC3=CC=C(C=N3)C(O)=O

InChI

InChIKey=SMCJVZRFBIOWHW-UHFFFAOYSA-N
InChI=1S/C19H17NO3S/c1-19(2)9-10-24(23)17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H17NO3S
Molecular Weight 339.408
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
W749S0254J
Record Status Validated (UNII)
Record Version