2-(4-azanyl-3-sulfo-phenyl)benzo[e]benzotriazole-4,7-disulfonic acid

Systemtic Name: 2-(4-azanyl-3-sulfo-phenyl)benzo[e]benzotriazole-4,7-disulfonic acid Openeye Name: 2-(4-amino-3-sulfo-phenyl)benzo[e]benzotriazole-4,7-disulfonic acid CAS Name: 2-(4-amino-3-sulfophenyl)benzo[e]benzotriazole-4,7-disulfonic acid IUPAC Name: 2-(4-amino-3-sulfophenyl)benzo[e]benzotriazole-4,7-disulfonic acid Traditional Name: 2-(4-amino-3-sulfo-phenyl)benzo[e]benzotriazole-4,7-disulfonic acid Formula: C16H12N4O9S3 MolecularWeight: 500.48288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2N=C3C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=N2)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1N2N=C3C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=N2)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C16H12N4O9S3/c17-12-4-1-9(7-13(12)31(24,25)26)20-18-15-11-3-2-10(30(21,22)23)5-8(11)6-14(16(15)19-20)32(27,28)29/h1-7H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29)