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(3-cyanophenyl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

(3-cyanophenyl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name:(3-cyanophenyl)methyl 4-chloranyl-3-methylsulfonyl-benzoate
Openeye Name:(3-cyanophenyl)methyl 4-chloro-3-methylsulfonyl-benzoate
CAS Name:4-chloro-3-methylsulfonylbenzoic acid (3-cyanophenyl)methyl ester
IUPAC Name:(3-cyanophenyl)methyl 4-chloro-3-methylsulfonylbenzoate
Traditional Name:4-chloro-3-mesyl-benzoic acid (3-cyanobenzyl) ester
Formula: C16H12ClNO4S
MolecularWeight: 349.78878
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=CC(=C2)C#N)Cl


Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC=CC(=C2)C#N)Cl


InChI

InChI=1S/C16H12ClNO4S/c1-23(20,21)15-8-13(5-6-14(15)17)16(19)22-10-12-4-2-3-11(7-12)9-18/h2-8H,10H2,1H3


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