methyl 5-dodecoxy-2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate

Systemtic Name: methyl 5-dodecoxy-2-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate Openeye Name: methyl 5-dodecoxy-2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-dodecoxy-2-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-dodecoxy-2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-lauryloxy-benzoic acid methyl ester Formula: C36H45NO7P+ MolecularWeight: 634.718761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H44NO7P/c1-3-4-5-6-7-8-9-10-11-14-25-42-31-22-23-35(33(27-31)36(38)41-2)44-45(39,40)43-32-20-15-17-29(26-32)28-37-24-16-19-30-18-12-13-21-34(30)37/h12-13,15-24,26-27H,3-11,14,25,28H2,1-2H3/p+1