[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C15H13NO6S MolecularWeight: 335.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO6S/c1-11-5-7-14(8-6-11)23(20,21)22-10-15(17)12-3-2-4-13(9-12)16(18)19/h2-9H,10H2,1H3