2-(3,4-dimethylphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-(3,4-dimethylphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(3,4-dimethylphenyl)-1-hydroxy-2-oxo-ethanesulfonic acid CAS Name: 2-(3,4-dimethylphenyl)-1-hydroxy-2-oxoethanesulfonic acid IUPAC Name: 2-(3,4-dimethylphenyl)-1-hydroxy-2-oxoethanesulfonic acid Traditional Name: 2-(3,4-dimethylphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C10H12O5S MolecularWeight: 244.26428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(O)S(=O)(=O)O)C

InChI

InChI=1S/C10H12O5S/c1-6-3-4-8(5-7(6)2)9(11)10(12)16(13,14)15/h3-5,10,12H,1-2H3,(H,13,14,15)