4-methyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-methyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-methyl-5-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-methyl-5-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-methyl-5-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5-keto-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C7H8O4S MolecularWeight: 188.20102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(CC1=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(CC1=O)S(=O)(=O)O

InChI

InChI=1S/C7H8O4S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-3H,4H2,1H3,(H,9,10,11)