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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C33H48NO7PS MolecularWeight: 633.775481

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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)OC)C

Isomeric SMILES

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

InChI

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