(2-dodecoxy-5-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-dodecoxy-5-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-dodecoxy-5-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-dodecoxy-5-methylphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-dodecoxy-5-methylphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-lauryloxy-5-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C35H45NO5P+ MolecularWeight: 590.709261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C35H44NO5P/c1-3-4-5-6-7-8-9-10-11-14-25-39-34-23-22-29(2)26-35(34)41-42(37,38)40-32-20-15-17-30(27-32)28-36-24-16-19-31-18-12-13-21-33(31)36/h12-13,15-24,26-27H,3-11,14,25,28H2,1-2H3/p+1