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

Systemtic Name: methyl 5-hexadecoxy-2-[[2-(1-methylquinolin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate Openeye Name: methyl 5-hexadecoxy-2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-hexadecoxy-2-[hydroxy-[2-(1-methyl-2-quinolin-1-iumyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-hexadecoxy-2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 5-cetyloxy-2-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxy-benzoic acid methyl ester Formula: C40H53NO7P+ MolecularWeight: 690.825081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)C(=O)OC

InChI

InChI=1S/C40H52NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-46-33-27-29-39(35(31-33)40(42)45-3)48-49(43,44)47-38-25-20-18-23-34(38)37-28-26-32-22-17-19-24-36(32)41(37)2/h17-20,22-29,31H,4-16,21,30H2,1-3H3/p+1