methyl 5-dodecoxy-2-[[2-(1-methylquinolin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate

Systemtic Name: methyl 5-dodecoxy-2-[[2-(1-methylquinolin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate Openeye Name: methyl 5-dodecoxy-2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-dodecoxy-2-[hydroxy-[2-(1-methyl-2-quinolin-1-iumyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-dodecoxy-2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)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=C2C3=[N+](C4=CC=CC=C4C=C3)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)C(=O)OC

InChI

InChI=1S/C36H44NO7P/c1-4-5-6-7-8-9-10-11-12-17-26-42-29-23-25-35(31(27-29)36(38)41-3)44-45(39,40)43-34-21-16-14-19-30(34)33-24-22-28-18-13-15-20-32(28)37(33)2/h13-16,18-25,27H,4-12,17,26H2,1-3H3/p+1