3-[2,5-diethoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2,5-diethoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[2,5-diethoxy-4-(1-ethyl-1-phosphono-propyl)phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2,5-diethoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,5-diethoxy-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[2,5-diethoxy-4-(1-ethyl-1-phosphono-propyl)phenyl]-1-ethyl-propyl]phosphonic acid Formula: C20H36O8P2 MolecularWeight: 466.442562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1OCC)C(CC)(CC)P(=O)(O)O)OCC)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1OCC)C(CC)(CC)P(=O)(O)O)OCC)P(=O)(O)O

InChI

InChI=1S/C20H36O8P2/c1-7-19(8-2,29(21,22)23)15-13-18(28-12-6)16(14-17(15)27-11-5)20(9-3,10-4)30(24,25)26/h13-14H,7-12H2,1-6H3,(H2,21,22,23)(H2,24,25,26)