1,3-Propanediol, 2-(phenylmethoxy)-, benzoate 4-methylbenzenesulfonate, (S)-

CAS Registry Number®

109371-33-7
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CAS Name

1,3-Propanediol, 2-(phenylmethoxy)-, benzoate 4-methylbenzenesulfonate, (S)-

Molecular Formula

C24H24O6S

Molecular Mass

440.51

Cite this Page

1,3-Propanediol, 2-(phenylmethoxy)-, benzoate 4-methylbenzenesulfonate, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109371-33-7 (retrieved 2024-09-07) (CAS RN: 109371-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-96 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C24H24O6S/c1-19-12-14-23(15-13-19)31(26,27)30-18-22(28-16-20-8-4-2-5-9-20)17-29-24(25)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3/t22-/m0/s1

InChIKey

InChIKey=PXMMPVOAHGXZSG-QFIPXVFZSA-N

SMILES

S(OC[C@@H](OCC1=CC=CC=C1)COC(=O)C2=CC=CC=C2)(=O)(=O)C3=CC=C(C)C=C3

Canonical SMILES

O=C(OCC(OCC=1C=CC=CC1)COS(=O)(=O)C2=CC=C(C=C2)C)C=3C=CC=CC3

Other Names for this Substance

  • 1,3-Propanediol, 2-(phenylmethoxy)-, benzoate 4-methylbenzenesulfonate, (S)-
  • (s)-(-)-1-Benzoyloxy-2-benzyloxy-3-tosyloxypropane