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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C35H51NO7P+ MolecularWeight: 628.755701

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C35H50NO7P/c1-4-5-6-7-8-9-10-11-12-16-25-40-34-21-18-22-35(30(34)2)41-28-33(39-3)29-42-44(37,38)43-32-20-17-19-31(26-32)27-36-23-14-13-15-24-36/h13-15,17-24,26,33H,4-12,16,25,27-29H2,1-3H3/p+1