[4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: [4-(4-nitrophenyl)-2-oxo-chromen-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-nitrophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-nitrophenyl)-2-oxochromen-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-(4-nitrophenyl)chromen-7-yl] ester Formula: C22H15NO7S MolecularWeight: 437.422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO7S/c1-14-2-9-18(10-3-14)31(27,28)30-17-8-11-19-20(13-22(24)29-21(19)12-17)15-4-6-16(7-5-15)23(25)26/h2-13H,1H3