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

Systemtic Name: sodium 2-[[4-oxidanyl-9,10-bis(oxidanylidene)-3-phenylazanyl-anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 2-[(3-anilino-4-hydroxy-9,10-dioxo-1-anthryl)amino]benzenesulfonate CAS Name: sodium 2-[(3-anilino-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]benzenesulfonate IUPAC Name: sodium 2-[(3-anilino-4-hydroxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonate Traditional Name: sodium 2-[(3-anilino-4-hydroxy-9,10-diketo-1-anthryl)amino]besylate Formula: C26H17N2NaO6S MolecularWeight: 508.47775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C3=C(C(=C2)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C3=C(C(=C2)NC4=CC=CC=C4S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)O.[Na+]

InChI

InChI=1S/C26H18N2O6S.Na/c29-24-16-10-4-5-11-17(16)25(30)23-22(24)19(28-18-12-6-7-13-21(18)35(32,33)34)14-20(26(23)31)27-15-8-2-1-3-9-15;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1