sodium 1-azanyl-4-[(4-methyl-3-nitro-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(4-methyl-3-nitro-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-methyl-3-nitro-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(4-methyl-3-nitro-anilino)anthracene-2-sulfonate Formula: C21H14N3NaO7S MolecularWeight: 475.40653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O7S.Na/c1-10-6-7-11(8-15(10)24(27)28)23-14-9-16(32(29,30)31)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,23H,22H2,1H3,(H,29,30,31);/q;+1/p-1