1-azanyl-9,10-bis(oxidanylidene)-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[4-(4-sulfophenyl)azoanilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[4-(4-sulfophenyl)azoanilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[4-[(4-sulfophenyl)diazenyl]anilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-(4-sulfophenyl)azoanilino]anthracene-2-sulfonic acid Formula: C26H18N4O8S2 MolecularWeight: 578.57312

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O8S2/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38)