CAS Registry Number®
80822-15-7
CAS Name
Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-
Molecular Formula
C18H14O8.H2O
Compound Properties
-
Melting Point (1)
91-93 °C
Source(s)
- (1) Ravenhorst, Franz; DD16622, 1959, CAplus
Other Names and Identifiers
InChI
InChI=1S/C18H14O8.H2O/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;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/m0./s1
InChIKey
InChIKey=DXDIHODZARUBLA-IODNYQNNSA-N
SMILES
[C@@H]([C@H](OC(=O)C1=CC=CC=C1)C(O)=O)(OC(=O)C2=CC=CC=C2)C(O)=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
Other Names for this Substance
- Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-
- Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, [S-(R*,R*)]-
- Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-
- D-(+)-Dibenzoyl tartaric acid monohydrate
