methyl (1R,3S)-3-oxidanyl-1-phenyl-pentane-1-sulfonate

Systemtic Name: methyl (1R,3S)-3-oxidanyl-1-phenyl-pentane-1-sulfonate Openeye Name: methyl (1R,3S)-3-hydroxy-1-phenyl-pentane-1-sulfonate CAS Name: (1R,3S)-3-hydroxy-1-phenyl-1-pentanesulfonic acid IUPAC Name: methyl (1R,3S)-3-hydroxy-1-phenylpentane-1-sulfonate Traditional Name: (1R,3S)-3-hydroxy-1-phenyl-pentane-1-sulfonic acid methyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C1=CC=CC=C1)S(=O)(=O)OC)O

Isomeric SMILES

CC[C@@H](C[C@H](C1=CC=CC=C1)S(=O)(=O)OC)O

InChI

InChI=1S/C12H18O4S/c1-3-11(13)9-12(17(14,15)16-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3/t11-,12+/m0/s1