[3-(dimethylsulfamoyl)phenyl]methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C24H18N2O8S MolecularWeight: 494.47332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O8S/c1-25(2)35(32,33)15-7-5-6-14(12-15)13-34-24(29)19-11-10-18-20(21(19)26(30)31)23(28)17-9-4-3-8-16(17)22(18)27/h3-12H,13H2,1-2H3