sodium 5-[[4-azanyl-3-carboxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-phenylazanyl-benzenesulfonate

Systemtic Name: sodium 5-[[4-azanyl-3-carboxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-phenylazanyl-benzenesulfonate Openeye Name: sodium 5-[(4-amino-3-carboxy-9,10-dioxo-1-anthryl)amino]-2-anilino-benzenesulfonate CAS Name: sodium 5-[(4-amino-3-carboxy-9,10-dioxo-1-anthracenyl)amino]-2-anilinobenzenesulfonate IUPAC Name: sodium 5-[(4-amino-3-carboxy-9,10-dioxoanthracen-1-yl)amino]-2-anilinobenzenesulfonate Traditional Name: sodium 5-[(4-amino-3-carboxy-9,10-diketo-1-anthryl)amino]-2-anilino-besylate Formula: C27H18N3NaO7S MolecularWeight: 551.50249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C4C(=C(C(=C3)C(=O)O)N)C(=O)C5=CC=CC=C5C4=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C4C(=C(C(=C3)C(=O)O)N)C(=O)C5=CC=CC=C5C4=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H19N3O7S.Na/c28-24-18(27(33)34)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(21(12-15)38(35,36)37)29-14-6-2-1-3-7-14;/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37);/q;+1/p-1