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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S/c1-4-9-13(3,14)10-17-18(15,16)12-7-5-11(2)6-8-12/h5-8,14H,4,9-10H2,1-3H3/t13-/m0/s1