1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-2-hydroxy-benzene-1,3-dicarboxylate CAS Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-hydroxybenzene-1,3-dicarboxylate IUPAC Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-hydroxybenzene-1,3-dicarboxylate Traditional Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-2-hydroxy-isophthalate Formula: C28H16O9-4 MolecularWeight: 496.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])O)C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])O)C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H10O9.C12H10/c17-12-9(14(20)21)4-3-7(11(12)16(24)25)6-1-2-8(13(18)19)10(5-6)15(22)23;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,17H,(H,18,19)(H,20,21)(H,22,23)(H,24,25);1-10H/p-4