2-(2-phosphonooxypropoxycarbonyl)terephthalic acid

Systemtic Name: 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid Openeye Name: 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid CAS Name: 2-[oxo(2-phosphonooxypropoxy)methyl]terephthalic acid IUPAC Name: 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid Traditional Name: 2-(2-phosphonooxypropoxycarbonyl)terephthalic acid Formula: C12H13O10P MolecularWeight: 348.199381

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OP(=O)(O)O

Isomeric SMILES

CC(COC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OP(=O)(O)O

InChI

InChI=1S/C12H13O10P/c1-6(22-23(18,19)20)5-21-12(17)9-4-7(10(13)14)2-3-8(9)11(15)16/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)(H2,18,19,20)