4,6,6-trimethylheptan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 4,6,6-trimethylheptan-2-yl 4-methylbenzenesulfonate Openeye Name: 1,3,5,5-tetramethylhexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4,6,6-trimethylheptan-2-yl ester IUPAC Name: 4,6,6-trimethylheptan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,3,5,5-tetramethylhexyl ester Formula: C17H28O3S MolecularWeight: 312.46742

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3S/c1-13-7-9-16(10-8-13)21(18,19)20-15(3)11-14(2)12-17(4,5)6/h7-10,14-15H,11-12H2,1-6H3