3-(1,3-dihexadecoxypropan-2-yloxy)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(1,3-dihexadecoxypropan-2-yloxy)propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-hexadecoxy-1-(hexadecoxymethyl)ethoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1,3-dihexadecoxypropan-2-yloxy)propyl ester IUPAC Name: 3-(1,3-dihexadecoxypropan-2-yloxy)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-cetyloxy-1-(cetyloxymethyl)ethoxy]propyl ester Formula: C45H84O6S MolecularWeight: 753.20986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)OCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C45H84O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37-48-41-44(50-39-32-40-51-52(46,47)45-35-33-43(3)34-36-45)42-49-38-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33-36,44H,4-32,37-42H2,1-3H3