[(3S,4R,5S,6S)-4,6-dimethyl-3-oxidanyl-5-phenylmethoxy-octyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4R,5S,6S)-4,6-dimethyl-3-oxidanyl-5-phenylmethoxy-octyl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R,5S,6S)-5-benzyloxy-3-hydroxy-4,6-dimethyl-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R,5S,6S)-3-hydroxy-4,6-dimethyl-5-phenylmethoxyoctyl] ester IUPAC Name: [(3S,4R,5S,6S)-3-hydroxy-4,6-dimethyl-5-phenylmethoxyoctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R,5S,6S)-5-benzoxy-3-hydroxy-4,6-dimethyl-octyl] ester Formula: C24H34O5S MolecularWeight: 434.58876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)C(CCOS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H]([C@H](C)[C@H](CCOS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H34O5S/c1-5-19(3)24(28-17-21-9-7-6-8-10-21)20(4)23(25)15-16-29-30(26,27)22-13-11-18(2)12-14-22/h6-14,19-20,23-25H,5,15-17H2,1-4H3/t19-,20+,23-,24-/m0/s1