1-(2,6-dimethylheptan-4-yloxy)dodecylphosphonic acid

Systemtic Name: 1-(2,6-dimethylheptan-4-yloxy)dodecylphosphonic acid Openeye Name: 1-(1-isobutyl-3-methyl-butoxy)dodecylphosphonic acid CAS Name: 1-(2,6-dimethylheptan-4-yloxy)dodecylphosphonic acid IUPAC Name: 1-(2,6-dimethylheptan-4-yloxy)dodecylphosphonic acid Traditional Name: 1-(1-isobutyl-3-methyl-butoxy)dodecylphosphonic acid Formula: C21H45O4P MolecularWeight: 392.553361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(OC(CC(C)C)CC(C)C)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCC(OC(CC(C)C)CC(C)C)P(=O)(O)O

InChI

InChI=1S/C21H45O4P/c1-6-7-8-9-10-11-12-13-14-15-21(26(22,23)24)25-20(16-18(2)3)17-19(4)5/h18-21H,6-17H2,1-5H3,(H2,22,23,24)