3,4-bis(phenylmethyl)phthalate; 3,4-diphenylphthalate

Systemtic Name: 3,4-bis(phenylmethyl)phthalate; 3,4-diphenylphthalate Openeye Name: 3,4-dibenzylphthalate; 3,4-diphenylphthalate CAS Name: 3,4-bis(phenylmethyl)phthalate; 3,4-diphenylphthalate IUPAC Name: 3,4-dibenzylphthalate; 3,4-diphenylphthalate Traditional Name: 3,4-dibenzylphthalate; 3,4-diphenylphthalate Formula: C42H28O8-4 MolecularWeight: 660.66692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC=CC=C3.C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC=CC=C3.C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H18O4.C20H14O4/c23-21(24)18-12-11-17(13-15-7-3-1-4-8-15)19(20(18)22(25)26)14-16-9-5-2-6-10-16;21-19(22)16-12-11-15(13-7-3-1-4-8-13)17(18(16)20(23)24)14-9-5-2-6-10-14/h1-12H,13-14H2,(H,23,24)(H,25,26);1-12H,(H,21,22)(H,23,24)/p-4