[(2S,3S)-2-methyl-3-(1-oxidanylethenoxy)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-(1-oxidanylethenoxy)pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-(1-hydroxyvinyloxy)-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-(1-hydroxyethenoxy)-2-methylpentyl] ester IUPAC Name: [(2S,3S)-3-(1-hydroxyethenoxy)-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-(1-hydroxyvinyloxy)-2-methyl-pentyl] ester Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-5-15(20-13(4)16)12(3)10-19-21(17,18)14-8-6-11(2)7-9-14/h6-9,12,15-16H,4-5,10H2,1-3H3/t12-,15-/m0/s1