2-(4-ethoxycarbonylphenyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(4-ethoxycarbonylphenyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(4-ethoxycarbonylphenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(4-ethoxycarbonylphenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(4-ethoxycarbonylphenyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(4-carbethoxyphenyl)-2,4-diphosphono-glutaric acid Formula: C14H18O12P2 MolecularWeight: 440.233042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C14H18O12P2/c1-2-26-12(17)8-3-5-9(6-4-8)14(13(18)19,28(23,24)25)7-10(11(15)16)27(20,21)22/h3-6,10H,2,7H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)(H2,23,24,25)