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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClO4S
Molecular Weight 362.827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of UP-454-21

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=C2/CCOC2=O)\C3=CC=C(Cl)C=C3

InChI

InChIKey=OFOFOZKUGISWRT-WUKNDPDISA-N
InChI=1S/C18H15ClO4S/c1-24(21,22)15-8-4-13(5-9-15)17(16-10-11-23-18(16)20)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3/b17-16+

HIDE SMILES / InChI

Molecular Formula C18H15ClO4S
Molecular Weight 362.827
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

Patents

Substance Class Chemical
Record UNII
44BU25XMZ2
Record Status Validated (UNII)
Record Version