(5-methyl-2-propan-2-yl-hexyl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-hexyl) 4-methylbenzenesulfonate Openeye Name: (2-isopropyl-5-methyl-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-2-propan-2-ylhexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylhexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-isopropyl-5-methyl-hexyl) ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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