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1,3-dihexadecoxypropan-2-yl 4-methylbenzenesulfonate

Systemtic Name:	1,3-dihexadecoxypropan-2-yl 4-methylbenzenesulfonate
Openeye Name:	[2-hexadecoxy-1-(hexadecoxymethyl)ethyl] 4-methylbenzenesulfonate
CAS Name:	4-methylbenzenesulfonic acid 1,3-dihexadecoxypropan-2-yl ester
IUPAC Name:	1,3-dihexadecoxypropan-2-yl 4-methylbenzenesulfonate
Traditional Name:	4-methylbenzenesulfonic acid [2-cetyloxy-1-(cetyloxymethyl)ethyl] ester
Formula:	C₄₂H₇₈O₅S
MolecularWeight:	695.13072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78O5S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-45-38-41(47-48(43,44)42-34-32-40(3)33-35-42)39-46-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-35,41H,4-31,36-39H2,1-3H3

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