2,2-dimethylhenicosan-4-ylphosphonic acid

Systemtic Name: 2,2-dimethylhenicosan-4-ylphosphonic acid Openeye Name: 1-(2,2-dimethylpropyl)octadecylphosphonic acid CAS Name: 2,2-dimethylheneicosan-4-ylphosphonic acid IUPAC Name: 2,2-dimethylhenicosan-4-ylphosphonic acid Traditional Name: 1-neopentyloctadecylphosphonic acid Formula: C23H49O3P MolecularWeight: 404.607121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(C)(C)C)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C23H49O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27(24,25)26)21-23(2,3)4/h22H,5-21H2,1-4H3,(H2,24,25,26)