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2-diethoxyphosphoryl-3-[4-(phenylmethyl)phenoxy]propanoic acid

2-diethoxyphosphoryl-3-[4-(phenylmethyl)phenoxy]propanoic acid

Systemtic Name:2-diethoxyphosphoryl-3-[4-(phenylmethyl)phenoxy]propanoic acid
Openeye Name:3-(4-benzylphenoxy)-2-diethoxyphosphoryl-propanoic acid
CAS Name:2-diethoxyphosphoryl-3-[4-(phenylmethyl)phenoxy]propanoic acid
IUPAC Name:3-(4-benzylphenoxy)-2-diethoxyphosphorylpropanoic acid
Traditional Name:3-(4-benzylphenoxy)-2-diethoxyphosphoryl-propionic acid
Formula: C20H25O6P
MolecularWeight: 392.382661
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(COC1=CC=C(C=C1)CC2=CC=CC=C2)C(=O)O)OCC


Isomeric SMILES

CCOP(=O)(C(COC1=CC=C(C=C1)CC2=CC=CC=C2)C(=O)O)OCC


InChI

InChI=1S/C20H25O6P/c1-3-25-27(23,26-4-2)19(20(21)22)15-24-18-12-10-17(11-13-18)14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,21,22)


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