[3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(3-lauryloxy-2-methyl-phenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C36H53NO7P+ MolecularWeight: 642.782281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)OCC)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)OCC)C

InChI

InChI=1S/C36H52NO7P/c1-4-6-7-8-9-10-11-12-13-17-26-41-35-22-19-23-36(31(35)3)42-29-34(40-5-2)30-43-45(38,39)44-33-21-18-20-32(27-33)28-37-24-15-14-16-25-37/h14-16,18-25,27,34H,4-13,17,26,28-30H2,1-3H3/p+1