methyl 4-(4,9-dimethyldodecan-2-yl)benzenesulfonate

Systemtic Name: methyl 4-(4,9-dimethyldodecan-2-yl)benzenesulfonate Openeye Name: methyl 4-(1,3,8-trimethylundecyl)benzenesulfonate CAS Name: 4-(4,9-dimethyldodecan-2-yl)benzenesulfonic acid methyl ester IUPAC Name: methyl 4-(4,9-dimethyldodecan-2-yl)benzenesulfonate Traditional Name: 4-(1,3,8-trimethylundecyl)benzenesulfonic acid methyl ester Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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