1,4-Dimethyl (2S)-2-(phenylmethyl)butanedioate

CAS Registry Number®

111266-28-5

CAS Name

1,4-Dimethyl (2S)-2-(phenylmethyl)butanedioate

Molecular Formula

C13H16O4

Molecular Mass

236.26

Cite this Page

1,4-Dimethyl (2S)-2-(phenylmethyl)butanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111266-28-5 (retrieved 2024-10-07) (CAS RN: 111266-28-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1

InChIKey

InChIKey=RWYYXMPWROIWLA-NSHDSACASA-N

SMILES

[C@@H](CC1=CC=CC=C1)(C(OC)=O)CC(OC)=O

Canonical SMILES

O=C(OC)CC(C(=O)OC)CC=1C=CC=CC1

Other Names for this Substance

  • Butanedioic acid, 2-(phenylmethyl)-, 1,4-dimethyl ester, (2S)-
  • Butanedioic acid, (phenylmethyl)-, dimethyl ester, (S)-
  • Butanedioic acid, (phenylmethyl)-, dimethyl ester, (2S)-
  • 1,4-Dimethyl (2S)-2-(phenylmethyl)butanedioate

CAS INSIGHTSTM
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