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

Systemtic Name: 1-azanyl-4-[[4-(dicyanomethyldiazenyl)-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(dicyanomethylazo)-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(dicyanomethylazo)-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(dicyanomethyldiazenyl)-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(dicyanomethylazo)-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H14N6O8S2 MolecularWeight: 566.52266

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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=NC(C#N)C#N)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=NC(C#N)C#N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C23H14N6O8S2/c24-9-12(10-25)28-29-15-6-5-11(7-17(15)38(32,33)34)27-16-8-18(39(35,36)37)21(26)20-19(16)22(30)13-3-1-2-4-14(13)23(20)31/h1-8,12,27H,26H2,(H,32,33,34)(H,35,36,37)