2-octoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 2-octoxypropyl 4-methylbenzenesulfonate Openeye Name: 2-octoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-octoxypropyl ester IUPAC Name: 2-octoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-octoxypropyl ester Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCOC(C)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H30O4S/c1-4-5-6-7-8-9-14-21-17(3)15-22-23(19,20)18-12-10-16(2)11-13-18/h10-13,17H,4-9,14-15H2,1-3H3