[3-(3-dodecylphenoxy)-2-ethoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecylphenoxy)-2-ethoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecylphenoxy)-2-ethoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecylphenoxy)-2-ethoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecylphenoxy)-2-ethoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(3-laurylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C33H49NO6PS+ MolecularWeight: 618.784021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

InChI

InChI=1S/C33H48NO6PS/c1-3-5-6-7-8-9-10-11-12-13-16-29-17-14-19-31(23-29)38-26-33(37-4-2)27-39-41(35,36)40-32-20-15-18-30(24-32)25-34-21-22-42-28-34/h14-15,17-24,28,33H,3-13,16,25-27H2,1-2H3/p+1