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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C(=O)C3=C(C4=CC=CC=C42)O)NC5=CC=CC=C5S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=O)C=C(C(=O)C3=C(C4=CC=CC=C42)O)NC5=CC=CC=C5S(=O)(=O)[O-].[Na+]

InChI

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