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

Systemtic Name: 6,6-dimethylheptan-2-yl 4-methylbenzenesulfonate Openeye Name: 1,5,5-trimethylhexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6,6-dimethylheptan-2-yl ester IUPAC Name: 6,6-dimethylheptan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,5,5-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)CCCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-13-8-10-15(11-9-13)20(17,18)19-14(2)7-6-12-16(3,4)5/h8-11,14H,6-7,12H2,1-5H3