1-octoxypentyl 4-methylbenzenesulfonate

Systemtic Name: 1-octoxypentyl 4-methylbenzenesulfonate Openeye Name: 1-octoxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-octoxypentyl ester IUPAC Name: 1-octoxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-octoxypentyl ester Formula: C20H34O4S MolecularWeight: 370.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCOC(CCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H34O4S/c1-4-6-8-9-10-11-17-23-20(12-7-5-2)24-25(21,22)19-15-13-18(3)14-16-19/h13-16,20H,4-12,17H2,1-3H3