[(2S,3S)-2-oxidanyl-3-phenylmethoxy-nonyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-oxidanyl-3-phenylmethoxy-nonyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-benzyloxy-2-hydroxy-nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-hydroxy-3-phenylmethoxynonyl] ester IUPAC Name: [(2S,3S)-2-hydroxy-3-phenylmethoxynonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-benzoxy-2-hydroxy-nonyl] ester Formula: C23H32O5S MolecularWeight: 420.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H32O5S/c1-3-4-5-9-12-23(27-17-20-10-7-6-8-11-20)22(24)18-28-29(25,26)21-15-13-19(2)14-16-21/h6-8,10-11,13-16,22-24H,3-5,9,12,17-18H2,1-2H3/t22-,23-/m0/s1