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4-[3,6-diaminocarbonyl-2-(4-carboxyphenyl)phenyl]benzoic acid

4-[3,6-diaminocarbonyl-2-(4-carboxyphenyl)phenyl]benzoic acid

Systemtic Name:4-[3,6-diaminocarbonyl-2-(4-carboxyphenyl)phenyl]benzoic acid
Openeye Name:4-[3,6-dicarbamoyl-2-(4-carboxyphenyl)phenyl]benzoic acid
CAS Name:4-[3,6-dicarbamoyl-2-(4-carboxyphenyl)phenyl]benzoic acid
IUPAC Name:4-[3,6-dicarbamoyl-2-(4-carboxyphenyl)phenyl]benzoic acid
Traditional Name:4-[3,6-dicarbamoyl-2-(4-carboxyphenyl)phenyl]benzoic acid
Formula: C22H16N2O6
MolecularWeight: 404.37224
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2C3=CC=C(C=C3)C(=O)O)C(=O)N)C(=O)N)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2C3=CC=C(C=C3)C(=O)O)C(=O)N)C(=O)N)C(=O)O


InChI

InChI=1S/C22H16N2O6/c23-19(25)15-9-10-16(20(24)26)18(12-3-7-14(8-4-12)22(29)30)17(15)11-1-5-13(6-2-11)21(27)28/h1-10H,(H2,23,25)(H2,24,26)(H,27,28)(H,29,30)


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