(6-methoxy-6-methyl-octan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-methoxy-6-methyl-octan-2-yl) 4-methylbenzenesulfonate Openeye Name: (5-methoxy-1,5-dimethyl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-methoxy-6-methyloctan-2-yl) ester IUPAC Name: (6-methoxy-6-methyloctan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methoxy-1,5-dimethyl-heptyl) ester Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OC

Isomeric SMILES

CCC(C)(CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OC

InChI

InChI=1S/C17H28O4S/c1-6-17(4,20-5)13-7-8-15(3)21-22(18,19)16-11-9-14(2)10-12-16/h9-12,15H,6-8,13H2,1-5H3