[(2S,3S)-2-methyl-3-oxidanyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-hydroxy-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methylpentyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyl-pentyl] ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S/c1-4-13(14)11(3)9-17-18(15,16)12-7-5-10(2)6-8-12/h5-8,11,13-14H,4,9H2,1-3H3/t11-,13-/m0/s1