[19-(4-iodanylphenyl)-1-(trimethylazaniumyl)nonadecan-2-yl] hydrogen phosphate

Systemtic Name: [19-(4-iodanylphenyl)-1-(trimethylazaniumyl)nonadecan-2-yl] hydrogen phosphate Openeye Name: [18-(4-iodanylphenyl)-1-[(trimethylammonio)methyl]octadecyl] hydrogen phosphate CAS Name: [19-(4-iodanylphenyl)-1-(trimethylammonio)nonadecan-2-yl] hydrogen phosphate IUPAC Name: [19-(4-iodanylphenyl)-1-(trimethylazaniumyl)nonadecan-2-yl] hydrogen phosphate Traditional Name: [18-(4-iodanylphenyl)-1-[(trimethylammonio)methyl]octadecyl] hydrogen phosphate Formula: C28H51INO4P MolecularWeight: 621.587225

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)I)OP(=O)(O)[O-]

Isomeric SMILES

C[N+](C)(C)CC(CCCCCCCCCCCCCCCCCC1=CC=C(C=C1)[125I])OP(=O)(O)[O-]

InChI

InChI=1S/C28H51INO4P/c1-30(2,3)25-28(34-35(31,32)33)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-26-21-23-27(29)24-22-26/h21-24,28H,4-20,25H2,1-3H3,(H-,31,32,33)/i29-2