5-ethyl-4-oxidanyl-4-phosphono-octanoic acid

Systemtic Name: 5-ethyl-4-oxidanyl-4-phosphono-octanoic acid Openeye Name: 5-ethyl-4-hydroxy-4-phosphono-octanoic acid CAS Name: 5-ethyl-4-hydroxy-4-phosphonooctanoic acid IUPAC Name: 5-ethyl-4-hydroxy-4-phosphonooctanoic acid Traditional Name: 5-ethyl-4-hydroxy-4-phosphono-caprylic acid Formula: C10H21O6P MolecularWeight: 268.243901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21O6P/c1-3-5-8(4-2)10(13,17(14,15)16)7-6-9(11)12/h8,13H,3-7H2,1-2H3,(H,11,12)(H2,14,15,16)