[2-(12-hexyl-12-octyl-docosan-11-yl)phenyl]phosphonic acid

Systemtic Name: [2-(12-hexyl-12-octyl-docosan-11-yl)phenyl]phosphonic acid Openeye Name: [2-(1-decyl-2-hexyl-2-octyl-dodecyl)phenyl]phosphonic acid CAS Name: [2-(12-hexyl-12-octyldocosan-11-yl)phenyl]phosphonic acid IUPAC Name: [2-(12-hexyl-12-octyldocosan-11-yl)phenyl]phosphonic acid Traditional Name: [2-(1-decyl-2-hexyl-2-octyl-dodecyl)phenyl]phosphonic acid Formula: C42H79O3P MolecularWeight: 663.048621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1=CC=CC=C1P(=O)(O)O)C(CCCCCC)(CCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(C1=CC=CC=C1P(=O)(O)O)C(CCCCCC)(CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C42H79O3P/c1-5-9-13-17-20-22-24-27-34-40(39-33-28-29-35-41(39)46(43,44)45)42(36-30-16-12-8-4,37-31-25-19-15-11-7-3)38-32-26-23-21-18-14-10-6-2/h28-29,33,35,40H,5-27,30-32,34,36-38H2,1-4H3,(H2,43,44,45)