methyl 2-hexadecoxy-6-[[2-(1-methylquinolin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate

Systemtic Name: methyl 2-hexadecoxy-6-[[2-(1-methylquinolin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate Openeye Name: methyl 2-hexadecoxy-6-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 2-hexadecoxy-6-[hydroxy-[2-(1-methyl-2-quinolin-1-iumyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 2-hexadecoxy-6-[hydroxy-[2-(1-methylquinolin-1-ium-2-yl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-cetyloxy-6-[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=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C3)C)C(=O)OC

Isomeric SMILES

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

InChI

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