(2R,3S)-2,3-bis(phenylcarbonyloxy)butanedioic acid hydrate

Systemtic Name: (2R,3S)-2,3-bis(phenylcarbonyloxy)butanedioic acid hydrate Openeye Name: (2R,3S)-2,3-dibenzoyloxybutanedioic acid hydrate CAS Name: (2R,3S)-2,3-dibenzoyloxybutanedioic acid hydrate IUPAC Name: (2R,3S)-2,3-dibenzoyloxybutanedioic acid hydrate Traditional Name: (2R,3S)-2,3-dibenzoyloxysuccinic acid hydrate Formula: C18H16O9 MolecularWeight: 376.31424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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+;