1-(2-phenylmethoxyoctadecan-3-yloxy)propyl 4-methylbenzenesulfonate

Systemtic Name: 1-(2-phenylmethoxyoctadecan-3-yloxy)propyl 4-methylbenzenesulfonate Openeye Name: 1-[1-(1-benzyloxyethyl)hexadecoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(2-phenylmethoxyoctadecan-3-yloxy)propyl ester IUPAC Name: 1-(2-phenylmethoxyoctadecan-3-yloxy)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[1-(1-benzoxyethyl)hexadecoxy]propyl ester Formula: C35H56O5S MolecularWeight: 588.88114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)OCC1=CC=CC=C1)OC(CC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)OCC1=CC=CC=C1)OC(CC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C35H56O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-24-34(31(4)38-29-32-22-19-18-20-23-32)39-35(6-2)40-41(36,37)33-27-25-30(3)26-28-33/h18-20,22-23,25-28,31,34-35H,5-17,21,24,29H2,1-4H3