2,2,4,4-tetramethylpentyl 4-methylbenzenesulfonate

Systemtic Name: 2,2,4,4-tetramethylpentyl 4-methylbenzenesulfonate Openeye Name: 2,2,4,4-tetramethylpentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,2,4,4-tetramethylpentyl ester IUPAC Name: 2,2,4,4-tetramethylpentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,2,4,4-tetramethylpentyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-13-7-9-14(10-8-13)20(17,18)19-12-16(5,6)11-15(2,3)4/h7-10H,11-12H2,1-6H3