[3-(4-dodecoxyphenoxy)-2-ethoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(4-dodecoxyphenoxy)-2-ethoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(4-dodecoxyphenoxy)-2-ethoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(4-dodecoxyphenoxy)-2-ethoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(4-dodecoxyphenoxy)-2-ethoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(4-lauryloxyphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C33H49NO7PS+ MolecularWeight: 634.783421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48NO7PS/c1-3-5-6-7-8-9-10-11-12-13-22-38-30-17-19-31(20-18-30)39-26-33(37-4-2)27-40-42(35,36)41-32-16-14-15-29(24-32)25-34-21-23-43-28-34/h14-21,23-24,28,33H,3-13,22,25-27H2,1-2H3/p+1