2-(6-azanyl-4,8-disulfo-naphthalen-2-yl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(6-azanyl-4,8-disulfo-naphthalen-2-yl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(6-amino-4,8-disulfo-2-naphthyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(6-amino-4,8-disulfo-2-naphthalenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(6-amino-4,8-disulfonaphthalen-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(6-amino-4,8-disulfo-2-naphthyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C14H11N3O9S2 MolecularWeight: 429.38184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=CC(=CC(=C21)S(=O)(=O)O)N3C(=O)C=C(N3)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C=C(C2=CC(=CC(=C21)S(=O)(=O)O)N3C(=O)C=C(N3)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C14H11N3O9S2/c15-6-1-8-9(11(2-6)27(21,22)23)3-7(4-12(8)28(24,25)26)17-13(18)5-10(16-17)14(19)20/h1-5,16H,15H2,(H,19,20)(H,21,22,23)(H,24,25,26)