[(Z)-3-methyl-4-(phenylmethyl)sulfonyl-but-2-enyl] benzoate

Systemtic Name: [(Z)-3-methyl-4-(phenylmethyl)sulfonyl-but-2-enyl] benzoate Openeye Name: [(Z)-4-benzylsulfonyl-3-methyl-but-2-enyl] benzoate CAS Name: benzoic acid [(Z)-3-methyl-4-(phenylmethyl)sulfonylbut-2-enyl] ester IUPAC Name: [(Z)-4-benzylsulfonyl-3-methylbut-2-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-benzylsulfonyl-3-methyl-but-2-enyl] ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C1=CC=CC=C1)CS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C/C(=C/COC(=O)C1=CC=CC=C1)/CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H20O4S/c1-16(12-13-23-19(20)18-10-6-3-7-11-18)14-24(21,22)15-17-8-4-2-5-9-17/h2-12H,13-15H2,1H3/b16-12-