2-[5-carboxy-2-oxidanyl-3-(2-oxidanyl-2-oxidanylidene-1-phosphono-ethoxy)phenyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[5-carboxy-2-oxidanyl-3-(2-oxidanyl-2-oxidanylidene-1-phosphono-ethoxy)phenyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[5-carboxy-2-hydroxy-3-(2-hydroxy-2-oxo-1-phosphono-ethoxy)phenyl]-2-hydroxy-propanedioic acid CAS Name: 2-[5-carboxy-2-hydroxy-3-(2-hydroxy-2-oxo-1-phosphonoethoxy)phenyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[5-carboxy-2-hydroxy-3-(2-hydroxy-2-oxo-1-phosphonoethoxy)phenyl]-2-hydroxypropanedioic acid Traditional Name: 2-[5-carboxy-2-hydroxy-3-(2-hydroxy-2-keto-1-phosphono-ethoxy)phenyl]-2-hydroxy-malonic acid Formula: C12H11O14P MolecularWeight: 410.181101

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(C(=O)O)(C(=O)O)O)O)OC(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1C(C(=O)O)(C(=O)O)O)O)OC(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H11O14P/c13-6-4(12(22,10(18)19)11(20)21)1-3(7(14)15)2-5(6)26-9(8(16)17)27(23,24)25/h1-2,9,13,22H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,23,24,25)