3-(3,3-dimethyl-2-oxidanyl-heptan-2-yl)oxybenzenesulfonate

Systemtic Name: 3-(3,3-dimethyl-2-oxidanyl-heptan-2-yl)oxybenzenesulfonate Openeye Name: 3-(1-hydroxy-1,2,2-trimethyl-hexoxy)benzenesulfonate CAS Name: 3-(2-hydroxy-3,3-dimethylheptan-2-yl)oxybenzenesulfonate IUPAC Name: 3-(2-hydroxy-3,3-dimethylheptan-2-yl)oxybenzenesulfonate Traditional Name: 3-(1-hydroxy-1,2,2-trimethyl-hexoxy)besylate Formula: C15H23O5S- MolecularWeight: 315.40512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C)(O)OC1=CC(=CC=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C)(C)C(C)(O)OC1=CC(=CC=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H24O5S/c1-5-6-10-14(2,3)15(4,16)20-12-8-7-9-13(11-12)21(17,18)19/h7-9,11,16H,5-6,10H2,1-4H3,(H,17,18,19)/p-1