1,1'-biphenyl; [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-oxidanyl-phenyl)phenyl] hydrogen carbonate

Systemtic Name: 1,1'-biphenyl; [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-oxidanyl-phenyl)phenyl] hydrogen carbonate Openeye Name: biphenyl; [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-hydroxy-phenyl)phenyl] hydrogen carbonate CAS Name: 1,1'-biphenyl; carbonic acid [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-hydroxyphenyl)phenyl] ester IUPAC Name: 1,1'-biphenyl; [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-hydroxyphenyl)phenyl] hydrogen carbonate Traditional Name: biphenyl; carbonic acid [2-carboxyoxy-4-(2,4-dicarboxyoxy-3-hydroxy-phenyl)phenyl] ester Formula: C28H20O13 MolecularWeight: 564.4506

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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)OC(=O)O)O)OC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C2=C(C(=C(C=C2)OC(=O)O)O)OC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C16H10O13.C12H10/c17-11-9(27-14(20)21)4-2-7(12(11)29-16(24)25)6-1-3-8(26-13(18)19)10(5-6)28-15(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