4-[4-carboxy-3-[carboxymethyl(phosphonomethyl)carbamoyl]phenyl]carbonylphthalic acid

Systemtic Name: 4-[4-carboxy-3-[carboxymethyl(phosphonomethyl)carbamoyl]phenyl]carbonylphthalic acid Openeye Name: 4-[4-carboxy-3-[carboxymethyl(phosphonomethyl)carbamoyl]benzoyl]phthalic acid CAS Name: 4-[[4-carboxy-3-[[carboxymethyl(phosphonomethyl)amino]-oxomethyl]phenyl]-oxomethyl]phthalic acid IUPAC Name: 4-[4-carboxy-3-[carboxymethyl(phosphonomethyl)carbamoyl]benzoyl]phthalic acid Traditional Name: 4-[4-carboxy-3-[carboxymethyl(phosphonomethyl)carbamoyl]benzoyl]phthalic acid Formula: C20H16NO13P MolecularWeight: 509.313701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)N(CC(=O)O)CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)N(CC(=O)O)CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C20H16NO13P/c22-15(23)7-21(8-35(32,33)34)17(25)13-5-9(1-3-11(13)18(26)27)16(24)10-2-4-12(19(28)29)14(6-10)20(30)31/h1-6H,7-8H2,(H,22,23)(H,26,27)(H,28,29)(H,30,31)(H2,32,33,34)