(1-butoxy-3,7-dimethyl-octyl) 4-methylbenzenesulfonate

Systemtic Name: (1-butoxy-3,7-dimethyl-octyl) 4-methylbenzenesulfonate Openeye Name: (1-butoxy-3,7-dimethyl-octyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-butoxy-3,7-dimethyloctyl) ester IUPAC Name: (1-butoxy-3,7-dimethyloctyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-butoxy-3,7-dimethyl-octyl) ester Formula: C21H36O4S MolecularWeight: 384.57314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC(C)CCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(CC(C)CCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H36O4S/c1-6-7-15-24-21(16-19(5)10-8-9-17(2)3)25-26(22,23)20-13-11-18(4)12-14-20/h11-14,17,19,21H,6-10,15-16H2,1-5H3