6-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)naphthalene-1,3-disulfonate

Systemtic Name: 6-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)naphthalene-1,3-disulfonate Openeye Name: 6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonate CAS Name: 6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonate IUPAC Name: 6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonate Traditional Name: 6-(5-keto-3-methyl-2-pyrazolin-1-yl)naphthalene-1,3-disulfonate Formula: C14H10N2O7S2-2 MolecularWeight: 382.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N2O7S2/c1-8-4-14(17)16(15-8)10-2-3-12-9(5-10)6-11(24(18,19)20)7-13(12)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,18,19,20)(H,21,22,23)/p-2