3-[(3-methyl-2-oxidanyl-7-sulfo-naphthalen-1-yl)iminomethylideneamino]-1H-pyrazole-5-carboxylic acid; nickel

Systemtic Name: 3-[(3-methyl-2-oxidanyl-7-sulfo-naphthalen-1-yl)iminomethylideneamino]-1H-pyrazole-5-carboxylic acid; nickel Openeye Name: 3-[(2-hydroxy-3-methyl-7-sulfo-1-naphthyl)iminomethyleneamino]-1H-pyrazole-5-carboxylic acid; nickel CAS Name: 3-[(2-hydroxy-3-methyl-7-sulfo-1-naphthalenyl)iminomethylideneamino]-1H-pyrazole-5-carboxylic acid; nickel IUPAC Name: 3-[(2-hydroxy-3-methyl-7-sulfonaphthalen-1-yl)iminomethylideneamino]-1H-pyrazole-5-carboxylic acid; nickel Traditional Name: 3-[(2-hydroxy-3-methyl-7-sulfo-1-naphthyl)iminomethyleneamino]-1H-pyrazole-5-carboxylic acid; nickel Formula: C16H12N4NiO6S MolecularWeight: 447.04808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=C1)S(=O)(=O)O)N=C=NC3=NNC(=C3)C(=O)O)O.[Ni]

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=C1)S(=O)(=O)O)N=C=NC3=NNC(=C3)C(=O)O)O.[Ni]

InChI

InChI=1S/C16H12N4O6S.Ni/c1-8-4-9-2-3-10(27(24,25)26)5-11(9)14(15(8)21)18-7-17-13-6-12(16(22)23)19-20-13;/h2-6,21H,1H3,(H,19,20)(H,22,23)(H,24,25,26);