3-oxidanylundecyl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanylundecyl 4-methylbenzenesulfonate Openeye Name: 3-hydroxyundecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-hydroxyundecyl ester IUPAC Name: 3-hydroxyundecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-hydroxyundecyl ester Formula: C18H30O4S MolecularWeight: 342.4934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C18H30O4S/c1-3-4-5-6-7-8-9-17(19)14-15-22-23(20,21)18-12-10-16(2)11-13-18/h10-13,17,19H,3-9,14-15H2,1-2H3