[4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2-methyl-3-nitro-benzenesulfonate Openeye Name: [4-(4-nitrophenyl)-2-oxo-chromen-7-yl] 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid [4-(4-nitrophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-nitrophenyl)-2-oxochromen-7-yl] 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid [2-keto-4-(4-nitrophenyl)chromen-7-yl] ester Formula: C22H14N2O9S MolecularWeight: 482.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O9S/c1-13-19(24(28)29)3-2-4-21(13)34(30,31)33-16-9-10-17-18(12-22(25)32-20(17)11-16)14-5-7-15(8-6-14)23(26)27/h2-12H,1H3