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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H49NO7PS+ MolecularWeight: 634.783421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)OC)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)OC)C

InChI

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