disodium 2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid

Systemtic Name: disodium 2-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid Openeye Name: disodium 2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid CAS Name: disodium 2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid IUPAC Name: disodium 2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid Traditional Name: disodium 2-(5-keto-3-phenyl-3-pyrazolin-1-yl)benzene-1,4-disulfonic acid Formula: C15H12N2Na2O7S2+2 MolecularWeight: 442.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C15H12N2O7S2.2Na/c18-15-9-12(10-4-2-1-3-5-10)16-17(15)13-8-11(25(19,20)21)6-7-14(13)26(22,23)24;;/h1-9,16H,(H,19,20,21)(H,22,23,24);;/q;2*+1