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

Systemtic Name: 3-[2-acetyloxy-5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]phenyl]-3-methyl-butanoic acid Openeye Name: 3-[2-acetoxy-5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]phenyl]-3-methyl-butanoic acid CAS Name: 3-[2-acetyloxy-5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]phenyl]-3-methylbutanoic acid IUPAC Name: 3-[2-acetyloxy-5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]phenyl]-3-methylbutanoic acid Traditional Name: 3-[2-acetoxy-5-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]phenyl]-3-methyl-butyric acid Formula: C20H32O9P2 MolecularWeight: 478.410202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O9P2/c1-7-26-30(24,14-31(25,27-8-2)28-9-3)16-10-11-18(29-15(4)21)17(12-16)20(5,6)13-19(22)23/h10-12H,7-9,13-14H2,1-6H3,(H,22,23)