[(10R)-10-methyl-1-phenylmethoxy-octadecan-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [(10R)-10-methyl-1-phenylmethoxy-octadecan-7-yl] 4-methylbenzenesulfonate Openeye Name: [(4R)-1-(6-benzyloxyhexyl)-4-methyl-dodecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(10R)-10-methyl-1-phenylmethoxyoctadecan-7-yl] ester IUPAC Name: [(10R)-10-methyl-1-phenylmethoxyoctadecan-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R)-1-(6-benzoxyhexyl)-4-methyl-dodecyl] ester Formula: C33H52O4S MolecularWeight: 544.82858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CCC(CCCCCCOCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC[C@@H](C)CCC(CCCCCCOCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C33H52O4S/c1-4-5-6-7-8-12-17-29(2)21-24-32(37-38(34,35)33-25-22-30(3)23-26-33)20-15-9-10-16-27-36-28-31-18-13-11-14-19-31/h11,13-14,18-19,22-23,25-26,29,32H,4-10,12,15-17,20-21,24,27-28H2,1-3H3/t29-,32?/m1/s1