3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-oxidanyl-phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-oxidanyl-phenyl]-3-methyl-butanoic acid Openeye Name: 3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-hydroxy-phenyl]-3-methyl-butanoic acid CAS Name: 3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-hydroxyphenyl]-3-methylbutanoic acid IUPAC Name: 3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-hydroxyphenyl]-3-methylbutanoic acid Traditional Name: 3-[5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]-2-hydroxy-phenyl]-3-methyl-butyric acid Formula: C18H30O8P2 MolecularWeight: 436.373522

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CP(=O)(OCC)OCC)C1=CC(=C(C=C1)O)C(C)(C)CC(=O)O

Isomeric SMILES

CCOP(=O)(CP(=O)(OCC)OCC)C1=CC(=C(C=C1)O)C(C)(C)CC(=O)O

InChI

InChI=1S/C18H30O8P2/c1-6-24-27(22,13-28(23,25-7-2)26-8-3)14-9-10-16(19)15(11-14)18(4,5)12-17(20)21/h9-11,19H,6-8,12-13H2,1-5H3,(H,20,21)