(3-ethoxycarbonyl-4-ethyl-heptan-3-yl)phosphonic acid

Systemtic Name: (3-ethoxycarbonyl-4-ethyl-heptan-3-yl)phosphonic acid Openeye Name: (1-ethoxycarbonyl-1,2-diethyl-pentyl)phosphonic acid CAS Name: (3-ethoxycarbonyl-4-ethylheptan-3-yl)phosphonic acid IUPAC Name: (3-ethoxycarbonyl-4-ethylheptan-3-yl)phosphonic acid Traditional Name: (1-carbethoxy-1,2-diethyl-pentyl)phosphonic acid Formula: C12H25O5P MolecularWeight: 280.297661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C(CC)(C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCCC(CC)C(CC)(C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C12H25O5P/c1-5-9-10(6-2)12(7-3,18(14,15)16)11(13)17-8-4/h10H,5-9H2,1-4H3,(H2,14,15,16)