Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-

CAS Registry Number®

71607-31-3
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CAS Name

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-

Molecular Formula

C20H18O8.H2O

Cite this Page

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=71607-31-3 (retrieved 2024-04-20) (CAS RN: 71607-31-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m0./s1

InChIKey

InChIKey=FOTRUJUPLHRVNU-MOGJOVFKSA-N

SMILES

[C@@H]([C@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)(OC(=O)C2=CC=C(C)C=C2)C(O)=O.O

Canonical SMILES

O=C(OC(C(=O)O)C(OC(=O)C1=CC=C(C=C1)C)C(=O)O)C2=CC=C(C=C2)C.O

Other Names for this Substance

  • Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
  • Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, [S-(R*,R*)]-
  • Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, monohydrate, (2S,3S)-

Deleted or Replaced CAS Registry Numbers

672310-01-9

CAS INSIGHTSTM
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