7-methyl-4-oxidanyl-4-phosphono-octanoic acid

Systemtic Name: 7-methyl-4-oxidanyl-4-phosphono-octanoic acid Openeye Name: 4-hydroxy-7-methyl-4-phosphono-octanoic acid CAS Name: 4-hydroxy-7-methyl-4-phosphonooctanoic acid IUPAC Name: 4-hydroxy-7-methyl-4-phosphonooctanoic acid Traditional Name: 4-hydroxy-7-methyl-4-phosphono-caprylic acid Formula: C9H19O6P MolecularWeight: 254.217321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19O6P/c1-7(2)3-5-9(12,16(13,14)15)6-4-8(10)11/h7,12H,3-6H2,1-2H3,(H,10,11)(H2,13,14,15)