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

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

Systemtic Name:2-[3-carboxy-5-(2-oxidanyl-2-oxidanylidene-1-phosphono-ethoxy)phenoxy]propanedioic acid
Openeye Name:2-[3-carboxy-5-(2-hydroxy-2-oxo-1-phosphono-ethoxy)phenoxy]propanedioic acid
CAS Name:2-[3-carboxy-5-(2-hydroxy-2-oxo-1-phosphonoethoxy)phenoxy]propanedioic acid
IUPAC Name:2-[3-carboxy-5-(2-hydroxy-2-oxo-1-phosphonoethoxy)phenoxy]propanedioic acid
Traditional Name:2-[3-carboxy-5-(2-hydroxy-2-keto-1-phosphono-ethoxy)phenoxy]malonic acid
Formula: C12H11O13P
MolecularWeight: 394.181701
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OC(C(=O)O)C(=O)O)OC(C(=O)O)P(=O)(O)O)C(=O)O


Isomeric SMILES

C1=C(C=C(C=C1OC(C(=O)O)C(=O)O)OC(C(=O)O)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C12H11O13P/c13-8(14)4-1-5(24-7(9(15)16)10(17)18)3-6(2-4)25-12(11(19)20)26(21,22)23/h1-3,7,12H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)


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