methyl (E)-5-(phenylsulfonyl)hept-2-enoate

Systemtic Name: methyl (E)-5-(phenylsulfonyl)hept-2-enoate Openeye Name: methyl (E)-5-(benzenesulfonyl)hept-2-enoate CAS Name: (E)-5-(benzenesulfonyl)-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-5-(benzenesulfonyl)hept-2-enoate Traditional Name: (E)-5-besylhept-2-enoic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=CC(=O)OC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C/C=C/C(=O)OC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O4S/c1-3-12(10-7-11-14(15)18-2)19(16,17)13-8-5-4-6-9-13/h4-9,11-12H,3,10H2,1-2H3/b11-7+