3-[4-(2,4-dimethyl-3-phosphono-pentan-3-yl)oxy-2,5-diethyl-3-phosphono-phenyl]propanoic acid

Systemtic Name: 3-[4-(2,4-dimethyl-3-phosphono-pentan-3-yl)oxy-2,5-diethyl-3-phosphono-phenyl]propanoic acid Openeye Name: 3-[2,5-diethyl-4-(1-isopropyl-2-methyl-1-phosphono-propoxy)-3-phosphono-phenyl]propanoic acid CAS Name: 3-[4-(2,4-dimethyl-3-phosphonopentan-3-yl)oxy-2,5-diethyl-3-phosphonophenyl]propanoic acid IUPAC Name: 3-[4-(2,4-dimethyl-3-phosphonopentan-3-yl)oxy-2,5-diethyl-3-phosphonophenyl]propanoic acid Traditional Name: 3-[2,5-diethyl-4-(1-isopropyl-2-methyl-1-phosphono-propoxy)-3-phosphono-phenyl]propionic acid Formula: C20H34O9P2 MolecularWeight: 480.426082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)CCC(=O)O)CC)P(=O)(O)O)OC(C(C)C)(C(C)C)P(=O)(O)O

Isomeric SMILES

CCC1=C(C(=C(C(=C1)CCC(=O)O)CC)P(=O)(O)O)OC(C(C)C)(C(C)C)P(=O)(O)O

InChI

InChI=1S/C20H34O9P2/c1-7-14-11-15(9-10-17(21)22)16(8-2)19(30(23,24)25)18(14)29-20(12(3)4,13(5)6)31(26,27)28/h11-13H,7-10H2,1-6H3,(H,21,22)(H2,23,24,25)(H2,26,27,28)