Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone (1:1)

CAS Registry Number®

850222-41-2
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CAS Name

Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone (1:1)

Molecular Formula

C18H14O8.C13H19NO2

Cite this Page

Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850222-41-2 (retrieved 2024-08-12) (CAS RN: 850222-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H14O8.C13H19NO2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4/h1-10,13-14H,(H,19,20)(H,21,22);5-8,10H,9H2,1-4H3/t13-,14-;10-/m10/s1

InChIKey

InChIKey=BTQXAVPTGXQONO-LITMDOGYSA-N

SMILES

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

Canonical SMILES

O=C(OC(C(=O)O)C(OC(=O)C=1C=CC=CC1)C(=O)O)C=2C=CC=CC2.O=C(C=1C=CC=C(OC)C1)C(C)CN(C)C

Other Names for this Substance

  • Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-, compd. with (2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone (1:1)