[(2S,3S)-8-oxidanyl-2-phenylmethoxy-nonan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-8-oxidanyl-2-phenylmethoxy-nonan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-benzyloxyethyl]-6-hydroxy-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-8-hydroxy-2-phenylmethoxynonan-3-yl] ester IUPAC Name: [(2S,3S)-8-hydroxy-2-phenylmethoxynonan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-benzoxyethyl]-6-hydroxy-heptyl] ester Formula: C23H32O5S MolecularWeight: 420.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(C)O)C(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CCCCC(C)O)[C@H](C)OCC2=CC=CC=C2

InChI

InChI=1S/C23H32O5S/c1-18-13-15-22(16-14-18)29(25,26)28-23(12-8-7-9-19(2)24)20(3)27-17-21-10-5-4-6-11-21/h4-6,10-11,13-16,19-20,23-24H,7-9,12,17H2,1-3H3/t19?,20-,23-/m0/s1