methyl 2-dodecoxy-6-[oxidanyl-[2-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate

Systemtic Name: methyl 2-dodecoxy-6-[oxidanyl-[2-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate Openeye Name: methyl 2-dodecoxy-6-[hydroxy-[2-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 2-dodecoxy-6-[hydroxy-[2-(1-quinolin-1-iumylmethyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 2-dodecoxy-6-[hydroxy-[2-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-[hydroxy-[2-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-6-lauryloxy-benzoic acid methyl ester Formula: C36H45NO7P+ MolecularWeight: 634.718761

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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(=O)OC

Isomeric SMILES

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

InChI

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