9-(2-octylphenyl)heptadecan-9-ylphosphanium ethanoate

Systemtic Name: 9-(2-octylphenyl)heptadecan-9-ylphosphanium ethanoate Openeye Name: [1-octyl-1-(2-octylphenyl)nonyl]phosphonium acetate CAS Name: 9-(2-octylphenyl)heptadecan-9-ylphosphonium acetate IUPAC Name: 9-(2-octylphenyl)heptadecan-9-ylphosphanium acetate Traditional Name: [1-octyl-1-(2-octylphenyl)nonyl]phosphonium acetate Formula: C33H61O2P MolecularWeight: 520.810001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(CCCCCCCC)(CCCCCCCC)[PH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(CCCCCCCC)(CCCCCCCC)[PH3+].CC(=O)[O-]

InChI

InChI=1S/C31H57P.C2H4O2/c1-4-7-10-13-16-19-24-29-25-20-21-26-30(29)31(32,27-22-17-14-11-8-5-2)28-23-18-15-12-9-6-3;1-2(3)4/h20-21,25-26H,4-19,22-24,27-28,32H2,1-3H3;1H3,(H,3,4)