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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H12Cl2O
Molecular Weight 291.172
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERTRALINE KETONE

SMILES

ClC1=C(Cl)C=C(C=C1)[C@@H]2CCC(=O)C3=C2C=CC=C3

InChI

InChIKey=JGMBHJNMQVKDMW-NSHDSACASA-N
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H12Cl2O
Molecular Weight 291.172
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3383LZ11NQ
Record Status Validated (UNII)
Record Version