benzene-1,3-dicarboxylate; 1,1'-biphenyl; terephthalate

Systemtic Name: benzene-1,3-dicarboxylate; 1,1'-biphenyl; terephthalate Openeye Name: benzene-1,3-dicarboxylate; biphenyl; terephthalate CAS Name: benzene-1,3-dicarboxylate; 1,1'-biphenyl; terephthalate IUPAC Name: benzene-1,3-dicarboxylate; 1,1'-biphenyl; terephthalate Traditional Name: biphenyl; isophthalate; terephthalate Formula: C40H28O8-4 MolecularWeight: 636.64552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C12H10.2C8H6O4/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*1-10H;2*1-4H,(H,9,10)(H,11,12)/p-4