1-(2,3-dihexadecoxypropoxy)propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-(2,3-dihexadecoxypropoxy)propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2-(2,3-dihexadecoxypropoxy)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(2,3-dihexadecoxypropoxy)propan-2-yl ester IUPAC Name: 1-(2,3-dihexadecoxypropoxy)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3-dicetyloxypropoxy)-1-methyl-ethyl] ester Formula: C45H84O6S MolecularWeight: 753.20986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OCCCCCCCCCCCCCCCC

InChI

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