[2-(cyanomethyl)-3-hexadecoxy-propyl] methanesulfonate

Systemtic Name: [2-(cyanomethyl)-3-hexadecoxy-propyl] methanesulfonate Openeye Name: [2-(cyanomethyl)-3-hexadecoxy-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(cyanomethyl)-3-hexadecoxypropyl] ester IUPAC Name: [2-(cyanomethyl)-3-hexadecoxypropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(cetyloxymethyl)-3-cyano-propyl] ester Formula: C22H43NO4S MolecularWeight: 417.64612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC#N)COS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC#N)COS(=O)(=O)C

InChI

InChI=1S/C22H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-20-22(17-18-23)21-27-28(2,24)25/h22H,3-17,19-21H2,1-2H3