4,6-bis(phenylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis(phenylmethyl)benzene-1,3-dicarboxylic acid Openeye Name: 4,6-dibenzylbenzene-1,3-dicarboxylic acid CAS Name: 4,6-bis(phenylmethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-dibenzylbenzene-1,3-dicarboxylic acid Traditional Name: 4,6-dibenzylisophthalic acid Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H18O4/c23-21(24)19-14-20(22(25)26)18(12-16-9-5-2-6-10-16)13-17(19)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,23,24)(H,25,26)