4-[(5-azanyl-2-sulfo-phenyl)diazenyl]-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-[(5-azanyl-2-sulfo-phenyl)diazenyl]-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: 4-(5-amino-2-sulfo-phenyl)azo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(5-amino-2-sulfophenyl)azo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-[(5-amino-2-sulfophenyl)diazenyl]-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(5-amino-2-sulfo-phenyl)azo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Formula: C16H13N5O8S2 MolecularWeight: 467.43312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H13N5O8S2/c17-9-1-6-14(31(27,28)29)12(7-9)18-19-13-8-21(20-15(13)16(22)23)10-2-4-11(5-3-10)30(24,25)26/h1-8H,17H2,(H,22,23)(H,24,25,26)(H,27,28,29)