calcium; (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioate; [(2R)-oxolan-2-yl]methanol

Systemtic Name: calcium; (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioate; [(2R)-oxolan-2-yl]methanol Openeye Name: calcium; (2R,3R)-2,3-dibenzoyloxybutanedioate; [(2R)-tetrahydrofuran-2-yl]methanol CAS Name: calcium; (2R,3R)-2,3-dibenzoyloxybutanedioate; [(2R)-2-oxolanyl]methanol IUPAC Name: calcium; (2R,3R)-2,3-dibenzoyloxybutanedioate; [(2R)-oxolan-2-yl]methanol Traditional Name: calcium; (2R,3R)-2,3-dibenzoyloxysuccinate; [(2R)-tetrahydrofuran-2-yl]methanol Formula: C28H32CaO12 MolecularWeight: 600.62448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CO.C1CC(OC1)CO.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1C[C@@H](OC1)CO.C1C[C@@H](OC1)CO.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H14O8.2C5H10O2.Ca/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;2*6-4-5-2-1-3-7-5;/h1-10,13-14H,(H,19,20)(H,21,22);2*5-6H,1-4H2;/q;;;+2/p-2/t13-,14-;2*5-;/m111./s1