2-(2-octadecoxyethoxy)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-octadecoxyethoxy)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-octadecoxyethoxy)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-octadecoxyethoxy)ethyl ester IUPAC Name: 2-(2-octadecoxyethoxy)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-stearyloxyethoxy)ethyl ester Formula: C29H52O5S MolecularWeight: 512.78518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C29H52O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-24-25-33-26-27-34-35(30,31)29-21-19-28(2)20-22-29/h19-22H,3-18,23-27H2,1-2H3