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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(3-lauryloxy-2-methyl-phenoxy)propyl] [3-(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(=C2)C[N+]3=CSC=C3)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C34H50NO7PS/c1-4-6-7-8-9-10-11-12-13-14-22-39-33-19-16-20-34(29(33)3)40-26-32(38-5-2)27-41-43(36,37)42-31-18-15-17-30(24-31)25-35-21-23-44-28-35/h15-21,23-24,28,32H,4-14,22,25-27H2,1-3H3/p+1