4,5,7-trimethyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid

Systemtic Name: 4,5,7-trimethyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid Openeye Name: 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid CAS Name: 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid IUPAC Name: 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid Traditional Name: 2-keto-4,5,7-trimethyl-1H-quinoline-6-sulfonic acid Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)N2)C)C(=C1S(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)N2)C)C(=C1S(=O)(=O)O)C

InChI

InChI=1S/C12H13NO4S/c1-6-5-10(14)13-9-4-7(2)12(18(15,16)17)8(3)11(6)9/h4-5H,1-3H3,(H,13,14)(H,15,16,17)