6-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]hexyl 4-methylbenzenesulfonate

Systemtic Name: 6-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]hexyl 4-methylbenzenesulfonate Openeye Name: 6-[[5-(hexadecoxymethyl)tetrahydrofuran-3-yl]methoxy]hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-[[5-(hexadecoxymethyl)-3-oxolanyl]methoxy]hexyl ester IUPAC Name: 6-[[5-(hexadecoxymethyl)oxolan-3-yl]methoxy]hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-[[5-(cetyloxymethyl)tetrahydrofuran-3-yl]methoxy]hexyl ester Formula: C35H62O6S MolecularWeight: 610.92818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(CO1)COCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(CO1)COCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C35H62O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-39-31-34-28-33(30-40-34)29-38-25-19-16-17-20-27-41-42(36,37)35-23-21-32(2)22-24-35/h21-24,33-34H,3-20,25-31H2,1-2H3