3-(3-methyl-5-oxidanylidene-pyrazol-4-yl)benzene-1,2-disulfonic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-pyrazol-4-yl)benzene-1,2-disulfonic acid Openeye Name: 3-(3-methyl-5-oxo-pyrazol-4-yl)benzene-1,2-disulfonic acid CAS Name: 3-(3-methyl-5-oxo-4-pyrazolyl)benzene-1,2-disulfonic acid IUPAC Name: 3-(3-methyl-5-oxopyrazol-4-yl)benzene-1,2-disulfonic acid Traditional Name: 3-(3-keto-5-methyl-pyrazol-4-yl)benzene-1,2-disulfonic acid Formula: C10H8N2O7S2 MolecularWeight: 332.30972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O7S2/c1-5-8(10(13)12-11-5)6-3-2-4-7(20(14,15)16)9(6)21(17,18)19/h2-4H,1H3,(H,14,15,16)(H,17,18,19)