1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenoxy-3-sulfo-phenyl)amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenoxy-3-sulfo-phenyl)amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfo-anilino)anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfoanilino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfoanilino)anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(4-phenoxy-3-sulfo-anilino)anthracene-2-sulfonic acid Formula: C26H18N2O9S2 MolecularWeight: 566.55912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H18N2O9S2/c27-24-21(39(34,35)36)13-18(22-23(24)26(30)17-9-5-4-8-16(17)25(22)29)28-14-10-11-19(20(12-14)38(31,32)33)37-15-6-2-1-3-7-15/h1-13,28H,27H2,(H,31,32,33)(H,34,35,36)