9,10-bis(oxidanylidene)-8-phenylazanyl-5-[(4-sulfophenyl)amino]anthracene-2-sulfonic acid; sodium

Systemtic Name: 9,10-bis(oxidanylidene)-8-phenylazanyl-5-[(4-sulfophenyl)amino]anthracene-2-sulfonic acid; sodium Openeye Name: 8-anilino-9,10-dioxo-5-(4-sulfoanilino)anthracene-2-sulfonic acid; sodium CAS Name: 8-anilino-9,10-dioxo-5-(4-sulfoanilino)-2-anthracenesulfonic acid; sodium IUPAC Name: 8-anilino-9,10-dioxo-5-(4-sulfoanilino)anthracene-2-sulfonic acid; sodium Traditional Name: 8-anilino-9,10-diketo-5-(4-sulfoanilino)anthracene-2-sulfonic acid; sodium Formula: C26H18N2NaO8S2 MolecularWeight: 573.54949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=C(C3=O)C=C(C=C5)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=C(C3=O)C=C(C=C5)S(=O)(=O)O.[Na]

InChI

InChI=1S/C26H18N2O8S2.Na/c29-25-19-11-10-18(38(34,35)36)14-20(19)26(30)24-22(27-15-4-2-1-3-5-15)13-12-21(23(24)25)28-16-6-8-17(9-7-16)37(31,32)33;/h1-14,27-28H,(H,31,32,33)(H,34,35,36);