3-[3,4-bis(diethoxyphosphoryl)phenyl]propanoic acid

Systemtic Name: 3-[3,4-bis(diethoxyphosphoryl)phenyl]propanoic acid Openeye Name: 3-[3,4-bis(diethoxyphosphoryl)phenyl]propanoic acid CAS Name: 3-[3,4-bis(diethoxyphosphoryl)phenyl]propanoic acid IUPAC Name: 3-[3,4-bis(diethoxyphosphoryl)phenyl]propanoic acid Traditional Name: 3-[3,4-bis(diethoxyphosphoryl)phenyl]propionic acid Formula: C17H28O8P2 MolecularWeight: 422.346942

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=C(C=C1)CCC(=O)O)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C=C(C=C1)CCC(=O)O)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C17H28O8P2/c1-5-22-26(20,23-6-2)15-11-9-14(10-12-17(18)19)13-16(15)27(21,24-7-3)25-8-4/h9,11,13H,5-8,10,12H2,1-4H3,(H,18,19)