[4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid

Systemtic Name: [4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid Openeye Name: [4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid CAS Name: [4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid IUPAC Name: [4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid Traditional Name: [4-methyl-4-(methylamino)-6-(4-octylphenyl)hexyl]phosphonic acid Formula: C22H40NO3P MolecularWeight: 397.531661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C)(CCCP(=O)(O)O)NC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C)(CCCP(=O)(O)O)NC

InChI

InChI=1S/C22H40NO3P/c1-4-5-6-7-8-9-11-20-12-14-21(15-13-20)16-18-22(2,23-3)17-10-19-27(24,25)26/h12-15,23H,4-11,16-19H2,1-3H3,(H2,24,25,26)