methyl 4-(5,8-dimethyldodecan-3-yl)benzenesulfonate

Systemtic Name: methyl 4-(5,8-dimethyldodecan-3-yl)benzenesulfonate Openeye Name: methyl 4-(1-ethyl-3,6-dimethyl-decyl)benzenesulfonate CAS Name: 4-(5,8-dimethyldodecan-3-yl)benzenesulfonic acid methyl ester IUPAC Name: methyl 4-(5,8-dimethyldodecan-3-yl)benzenesulfonate Traditional Name: 4-(1-ethyl-3,6-dimethyl-decyl)benzenesulfonic acid methyl ester Formula: C21H36O3S MolecularWeight: 368.57374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC(C)CC(CC)C1=CC=C(C=C1)S(=O)(=O)OC

Isomeric SMILES

CCCCC(C)CCC(C)CC(CC)C1=CC=C(C=C1)S(=O)(=O)OC

InChI

InChI=1S/C21H36O3S/c1-6-8-9-17(3)10-11-18(4)16-19(7-2)20-12-14-21(15-13-20)25(22,23)24-5/h12-15,17-19H,6-11,16H2,1-5H3