[3-[(E)-2-nitroethenyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(E)-2-nitroethenyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-2-nitrovinyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-nitroethenyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-2-nitrovinyl]phenyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-12-5-7-15(8-6-12)22(19,20)21-14-4-2-3-13(11-14)9-10-16(17)18/h2-11H,1H3/b10-9+