(5-ethyl-5-methyl-heptyl) 4-methylbenzenesulfonate

Systemtic Name: (5-ethyl-5-methyl-heptyl) 4-methylbenzenesulfonate Openeye Name: (5-ethyl-5-methyl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-ethyl-5-methylheptyl) ester IUPAC Name: (5-ethyl-5-methylheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-ethyl-5-methyl-heptyl) ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)CCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)(CC)CCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H28O3S/c1-5-17(4,6-2)13-7-8-14-20-21(18,19)16-11-9-15(3)10-12-16/h9-12H,5-8,13-14H2,1-4H3