bis(phenylcarbonyl) 2,3-bis(oxidanyl)butanedioate hydrate

Systemtic Name: bis(phenylcarbonyl) 2,3-bis(oxidanyl)butanedioate hydrate Openeye Name: dibenzoyl 2,3-dihydroxybutanedioate hydrate CAS Name: 2,3-dihydroxybutanedioic acid dibenzoyl ester hydrate IUPAC Name: dibenzoyl 2,3-dihydroxybutanedioate hydrate Traditional Name: 2,3-dihydroxysuccinic acid dibenzoyl ester hydrate Formula: C18H16O9 MolecularWeight: 376.31424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14O8.H2O/c19-13(17(23)25-15(21)11-7-3-1-4-8-11)14(20)18(24)26-16(22)12-9-5-2-6-10-12;/h1-10,13-14,19-20H;1H2