methyl 2-[oxidanyl-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate

Systemtic Name: methyl 2-[oxidanyl-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[2-(1-pyridin-1-iumylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-myristyloxy-benzoic acid methyl ester Formula: C34H47NO7P+ MolecularWeight: 612.713241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C34H46NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-19-26-40-30-22-23-33(31(27-30)34(36)39-2)42-43(37,38)41-32-21-16-15-20-29(32)28-35-24-17-14-18-25-35/h14-18,20-25,27H,3-13,19,26,28H2,1-2H3/p+1