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

Systemtic Name: 4-methyl-2-[2-methyl-2,3-bis(oxidanyl)propyl]benzenesulfonate Openeye Name: 2-(2,3-dihydroxy-2-methyl-propyl)-4-methyl-benzenesulfonate CAS Name: 2-(2,3-dihydroxy-2-methylpropyl)-4-methylbenzenesulfonate IUPAC Name: 2-(2,3-dihydroxy-2-methylpropyl)-4-methylbenzenesulfonate Traditional Name: 2-(2,3-dihydroxy-2-methyl-propyl)-4-methyl-besylate Formula: C11H15O5S- MolecularWeight: 259.2988

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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)/p-1