2-(3,5,5-trimethyl-1-oxidanyl-hexoxy)benzenesulfonate

Systemtic Name: 2-(3,5,5-trimethyl-1-oxidanyl-hexoxy)benzenesulfonate Openeye Name: 2-(1-hydroxy-3,5,5-trimethyl-hexoxy)benzenesulfonate CAS Name: 2-(1-hydroxy-3,5,5-trimethylhexoxy)benzenesulfonate IUPAC Name: 2-(1-hydroxy-3,5,5-trimethylhexoxy)benzenesulfonate Traditional Name: 2-(1-hydroxy-3,5,5-trimethyl-hexoxy)besylate Formula: C15H23O5S- MolecularWeight: 315.40512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)OC1=CC=CC=C1S(=O)(=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CC(O)OC1=CC=CC=C1S(=O)(=O)[O-])CC(C)(C)C

InChI

InChI=1S/C15H24O5S/c1-11(10-15(2,3)4)9-14(16)20-12-7-5-6-8-13(12)21(17,18)19/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18,19)/p-1