[(2S,3S)-7-chloranyl-1-oxidanyl-2-phenyl-heptan-3-yl] methanesulfonate

Systemtic Name: [(2S,3S)-7-chloranyl-1-oxidanyl-2-phenyl-heptan-3-yl] methanesulfonate Openeye Name: [(1S)-5-chloro-1-[(1S)-2-hydroxy-1-phenyl-ethyl]pentyl] methanesulfonate CAS Name: methanesulfonic acid [(2S,3S)-7-chloro-1-hydroxy-2-phenylheptan-3-yl] ester IUPAC Name: [(2S,3S)-7-chloro-1-hydroxy-2-phenylheptan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-5-chloro-1-[(1S)-2-hydroxy-1-phenyl-ethyl]pentyl] ester Formula: C14H21ClO4S MolecularWeight: 320.83214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCCCCl)C(CO)C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)O[C@@H](CCCCCl)[C@H](CO)C1=CC=CC=C1

InChI

InChI=1S/C14H21ClO4S/c1-20(17,18)19-14(9-5-6-10-15)13(11-16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14+/m1/s1