4,6-dimethylheptan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 4,6-dimethylheptan-2-yl 4-methylbenzenesulfonate Openeye Name: 1,3,5-trimethylhexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4,6-dimethylheptan-2-yl ester IUPAC Name: 4,6-dimethylheptan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,3,5-trimethylhexyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(C)CC(C)C

InChI

InChI=1S/C16H26O3S/c1-12(2)10-14(4)11-15(5)19-20(17,18)16-8-6-13(3)7-9-16/h6-9,12,14-15H,10-11H2,1-5H3