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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [2-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(3-lauryloxy-2-methyl-phenoxy)propyl] [2-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C34H51NO7PS+ MolecularWeight: 648.810001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3)OCC)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC=C3)OCC)C

InChI

InChI=1S/C34H50NO7PS/c1-4-6-7-8-9-10-11-12-13-16-23-39-32-20-17-21-33(29(32)3)40-26-31(38-5-2)27-41-43(36,37)42-34-19-15-14-18-30(34)25-35-22-24-44-28-35/h14-15,17-22,24,28,31H,4-13,16,23,25-27H2,1-3H3/p+1