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

Systemtic Name: sodium 1-azanyl-4-[(4-carboxyphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-carboxyanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(4-carboxyanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-carboxyanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-carboxyanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C21H13N2NaO7S MolecularWeight: 460.39189

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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=C(C=C4)C(=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=C(C=C4)C(=O)O)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C21H14N2O7S.Na/c22-18-15(31(28,29)30)9-14(23-11-7-5-10(6-8-11)21(26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,23H,22H2,(H,26,27)(H,28,29,30);/q;+1/p-1