[4-[(E)-2-nitroethenyl]phenyl] 4-ethanoylbenzenesulfonate

Systemtic Name: [4-[(E)-2-nitroethenyl]phenyl] 4-ethanoylbenzenesulfonate Openeye Name: [4-[(E)-2-nitrovinyl]phenyl] 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid [4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-nitroethenyl]phenyl] 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid [4-[(E)-2-nitrovinyl]phenyl] ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c1-12(18)14-4-8-16(9-5-14)24(21,22)23-15-6-2-13(3-7-15)10-11-17(19)20/h2-11H,1H3/b11-10+