4-methyl-2-[2-methyl-2,3-bis(oxidanyl)propyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[2-methyl-2,3-bis(oxidanyl)propyl]benzenesulfonic acid Openeye Name: 2-(2,3-dihydroxy-2-methyl-propyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2,3-dihydroxy-2-methylpropyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2,3-dihydroxy-2-methylpropyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2,3-dihydroxy-2-methyl-propyl)-4-methyl-besylic acid Formula: C11H16O5S MolecularWeight: 260.30674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O5S/c1-8-3-4-10(17(14,15)16)9(5-8)6-11(2,13)7-12/h3-5,12-13H,6-7H2,1-2H3,(H,14,15,16)