[3-acetyloxy-1,1-bis(fluoranyl)-4-hexadecoxy-butyl]phosphonic acid; sodium

Systemtic Name: [3-acetyloxy-1,1-bis(fluoranyl)-4-hexadecoxy-butyl]phosphonic acid; sodium Openeye Name: (3-acetoxy-1,1-difluoro-4-hexadecoxy-butyl)phosphonic acid; sodium CAS Name: (3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid; sodium IUPAC Name: (3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid; sodium Traditional Name: (3-acetoxy-4-cetyloxy-1,1-difluoro-butyl)phosphonic acid; sodium Formula: C22H43F2NaO6P MolecularWeight: 495.533557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(O)O)OC(=O)C.[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(O)O)OC(=O)C.[Na]

InChI

InChI=1S/C22H43F2O6P.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-19-21(30-20(2)25)18-22(23,24)31(26,27)28;/h21H,3-19H2,1-2H3,(H2,26,27,28);