[(E)-1-(1-benzofuran-2-yl)-2-cyano-ethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(1-benzofuran-2-yl)-2-cyano-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(benzofuran-2-yl)-2-cyano-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(2-benzofuranyl)-2-cyanoethenyl] ester IUPAC Name: [(E)-1-(1-benzofuran-2-yl)-2-cyanoethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(benzofuran-2-yl)-2-cyano-vinyl] ester Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CC#N)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/C#N)/C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H13NO4S/c1-13-6-8-15(9-7-13)24(20,21)23-17(10-11-19)18-12-14-4-2-3-5-16(14)22-18/h2-10,12H,1H3/b17-10+