methyl 2-[oxidanyl-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate

Systemtic Name: methyl 2-[oxidanyl-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[3-(1-pyridin-1-iumylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[3-(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(=C2)C[N+]3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)C(=O)OC

InChI

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