sodium 1-azanyl-4-[(4-methyl-2-sulfamoyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(4-methyl-2-sulfamoyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-methyl-2-sulfamoyl-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(4-methyl-2-sulfamoyl-anilino)anthracene-2-sulfonate Formula: C21H16N3NaO7S2 MolecularWeight: 509.48741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C21H17N3O7S2.Na/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31);/q;+1/p-1