7-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-(5-keto-3-methyl-3-pyrazolin-1-yl)naphthalene-2-sulfonic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-2-3-12-9(5-10)6-11(7-13(12)17)22(19,20)21/h2-7,15,17H,1H3,(H,19,20,21)