[(3R,7R)-3,7-dimethyl-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,7R)-3,7-dimethyl-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate Openeye Name: [(3R,7R)-8-benzyloxy-3,7-dimethyl-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,7R)-3,7-dimethyl-8-phenylmethoxyoctyl] ester IUPAC Name: [(3R,7R)-3,7-dimethyl-8-phenylmethoxyoctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,7R)-8-benzoxy-3,7-dimethyl-octyl] ester Formula: C24H34O4S MolecularWeight: 418.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCC(C)COCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](C)CCC[C@@H](C)COCC2=CC=CC=C2

InChI

InChI=1S/C24H34O4S/c1-20(16-17-28-29(25,26)24-14-12-21(2)13-15-24)8-7-9-22(3)18-27-19-23-10-5-4-6-11-23/h4-6,10-15,20,22H,7-9,16-19H2,1-3H3/t20-,22-/m1/s1