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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)C

InChI

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