6-(3-methyl-5-oxidanylidene-pyrazol-4-yl)naphthalene-1,3-disulfonic acid

Systemtic Name: 6-(3-methyl-5-oxidanylidene-pyrazol-4-yl)naphthalene-1,3-disulfonic acid Openeye Name: 6-(3-methyl-5-oxo-pyrazol-4-yl)naphthalene-1,3-disulfonic acid CAS Name: 6-(3-methyl-5-oxo-4-pyrazolyl)naphthalene-1,3-disulfonic acid IUPAC Name: 6-(3-methyl-5-oxopyrazol-4-yl)naphthalene-1,3-disulfonic acid Traditional Name: 6-(3-keto-5-methyl-pyrazol-4-yl)naphthalene-1,3-disulfonic acid Formula: C14H10N2O7S2 MolecularWeight: 382.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N=N1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H10N2O7S2/c1-7-13(14(17)16-15-7)8-2-3-11-9(4-8)5-10(24(18,19)20)6-12(11)25(21,22)23/h2-6H,1H3,(H,18,19,20)(H,21,22,23)