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Details

Stereochemistry RACEMIC
Molecular Formula C19H21NOS
Molecular Weight 311.441
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DOTHIEPIN SULFOXIDE

SMILES

CN(C)CC\C=C1/C2=C(C[S+]([O-])C3=C1C=CC=C3)C=CC=C2

InChI

InChIKey=NBNPVRZHUPMVQS-GZTJUZNOSA-N
InChI=1S/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

HIDE SMILES / InChI

Molecular Formula C19H21NOS
Molecular Weight 311.441
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4L9S2WE89J
Record Status Validated (UNII)
Record Version