[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-3-(4-nitrophenyl)acryloyl]phenyl] ester Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6S/c1-16-6-13-19(14-7-16)30(27,28)29-22-5-3-2-4-20(22)21(24)15-10-17-8-11-18(12-9-17)23(25)26/h2-15H,1H3/b15-10+