6-methyloctyl 4-methylbenzenesulfonate

Systemtic Name: 6-methyloctyl 4-methylbenzenesulfonate Openeye Name: 6-methyloctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-methyloctyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-4-14(2)8-6-5-7-13-19-20(17,18)16-11-9-15(3)10-12-16/h9-12,14H,4-8,13H2,1-3H3