5,7,7-trimethyl-2-phosphono-octanoic acid

Systemtic Name: 5,7,7-trimethyl-2-phosphono-octanoic acid Openeye Name: 5,7,7-trimethyl-2-phosphono-octanoic acid CAS Name: 5,7,7-trimethyl-2-phosphonooctanoic acid IUPAC Name: 5,7,7-trimethyl-2-phosphonooctanoic acid Traditional Name: 5,7,7-trimethyl-2-phosphono-caprylic acid Formula: C11H23O5P MolecularWeight: 266.271081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23O5P/c1-8(7-11(2,3)4)5-6-9(10(12)13)17(14,15)16/h8-9H,5-7H2,1-4H3,(H,12,13)(H2,14,15,16)