(3-ethoxycarbonyl-4-ethyl-8-pyridin-3-yl-octan-3-yl)phosphonic acid

Systemtic Name: (3-ethoxycarbonyl-4-ethyl-8-pyridin-3-yl-octan-3-yl)phosphonic acid Openeye Name: [1-ethoxycarbonyl-1,2-diethyl-6-(3-pyridyl)hexyl]phosphonic acid CAS Name: [3-ethoxycarbonyl-4-ethyl-8-(3-pyridinyl)octan-3-yl]phosphonic acid IUPAC Name: (3-ethoxycarbonyl-4-ethyl-8-pyridin-3-yloctan-3-yl)phosphonic acid Traditional Name: [1-carbethoxy-1,2-diethyl-6-(3-pyridyl)hexyl]phosphonic acid Formula: C18H30NO5P MolecularWeight: 371.408261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC1=CN=CC=C1)C(CC)(C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCC(CCCCC1=CN=CC=C1)C(CC)(C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C18H30NO5P/c1-4-16(12-8-7-10-15-11-9-13-19-14-15)18(5-2,25(21,22)23)17(20)24-6-3/h9,11,13-14,16H,4-8,10,12H2,1-3H3,(H2,21,22,23)