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

Systemtic Name: sodium 1-azanyl-4-[(3-nitrophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(3-nitroanilino)anthracene-2-sulfonate Formula: C20H12N3NaO7S MolecularWeight: 461.37995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H13N3O7S.Na/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24;/h1-9,22H,21H2,(H,28,29,30);/q;+1/p-1