calcium; bis(phenylmethyl) benzene-1,2-dicarboxylate; phthalate

Systemtic Name: calcium; bis(phenylmethyl) benzene-1,2-dicarboxylate; phthalate Openeye Name: calcium; dibenzyl benzene-1,2-dicarboxylate; phthalate CAS Name: calcium; benzene-1,2-dicarboxylic acid bis(phenylmethyl) ester; phthalate IUPAC Name: calcium; dibenzyl benzene-1,2-dicarboxylate; phthalate Traditional Name: calcium; benzene-1,2-dicarboxylic acid dibenzyl ester; phthalate Formula: C30H22CaO8 MolecularWeight: 550.56888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Ca+2]

InChI

InChI=1S/C22H18O4.C8H6O4.Ca/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18;9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-14H,15-16H2;1-4H,(H,9,10)(H,11,12);/q;;+2/p-2