3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid Openeye Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid CAS Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid IUPAC Name: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid Traditional Name: 3-(5-keto-3-methyl-2-pyrazolin-1-yl)naphthalene-1,5-disulfonic acid Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

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