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

Systemtic Name: 1,1'-biphenyl; 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate; hydrate Openeye Name: biphenyl; 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate; hydrate CAS Name: 1,1'-biphenyl; 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate; hydrate IUPAC Name: 1,1'-biphenyl; 4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate; hydrate Traditional Name: biphenyl; 4-(2,4-dicarboxylatophenyl)isophthalate; hydrate Formula: C28H18O9-4 MolecularWeight: 498.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O8.C12H10.H2O/c17-13(18)7-1-3-9(11(5-7)15(21)22)10-4-2-8(14(19)20)6-12(10)16(23)24;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-10H;1H2/p-4