1,1'-biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate

Systemtic Name: 1,1'-biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate Openeye Name: biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate CAS Name: 1,1'-biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate IUPAC Name: 1,1'-biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate Traditional Name: biphenyl; 3-(3-carboxyphenyl)benzoic acid; hydrate Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O4.C12H10.H2O/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-8H,(H,15,16)(H,17,18);1-10H;1H2