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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

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