4-[[4-oxidanyl-9,10-bis(oxidanylidene)-3-[(4-sulfophenyl)amino]anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-oxidanyl-9,10-bis(oxidanylidene)-3-[(4-sulfophenyl)amino]anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)-1-anthryl]amino]benzenesulfonic acid CAS Name: 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-hydroxy-9,10-diketo-3-(4-sulfoanilino)-1-anthryl]amino]besylic acid Formula: C26H18N2O9S2 MolecularWeight: 566.55912

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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)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)O

InChI

InChI=1S/C26H18N2O9S2/c29-24-18-3-1-2-4-19(18)25(30)23-22(24)20(27-14-5-9-16(10-6-14)38(32,33)34)13-21(26(23)31)28-15-7-11-17(12-8-15)39(35,36)37/h1-13,27-28,31H,(H,32,33,34)(H,35,36,37)