4-[carboxymethyl(phosphonomethyl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[carboxymethyl(phosphonomethyl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[carboxymethyl(phosphonomethyl)carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[[carboxymethyl(phosphonomethyl)amino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[carboxymethyl(phosphonomethyl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[carboxymethyl(phosphonomethyl)carbamoyl]isophthalic acid Formula: C12H12NO10P MolecularWeight: 361.198141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12NO10P/c14-9(15)4-13(5-24(21,22)23)10(16)7-2-1-6(11(17)18)3-8(7)12(19)20/h1-3H,4-5H2,(H,14,15)(H,17,18)(H,19,20)(H2,21,22,23)