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

Systemtic Name: methyl 2-[[2-(1-methylpyridin-1-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[2-(1-methylpyridin-1-ium-2-yl)phenoxy]phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[2-(1-methyl-2-pyridin-1-iumyl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[2-(1-methylpyridin-1-ium-2-yl)phenoxy]phosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[2-(1-methylpyridin-1-ium-2-yl)phenoxy]phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C34H47NO7P+ MolecularWeight: 612.713241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)C(=O)OC

InChI

InChI=1S/C34H46NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-19-27-40-31-24-20-25-32(33(31)34(36)39-3)42-43(37,38)41-30-23-16-15-21-28(30)29-22-17-18-26-35(29)2/h15-18,20-26H,4-14,19,27H2,1-3H3/p+1