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

Systemtic Name: [3-(3-hexadecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: [3-(3-hexadecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: [3-(3-hexadecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: [3-(3-hexadecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: [3-(3-cetyloxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C37H56NO7PS MolecularWeight: 689.881801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC)C

InChI

InChI=1S/C37H56NO7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-42-36-22-19-23-37(32(36)2)43-29-35(41-3)30-44-46(39,40)45-34-21-18-20-33(27-34)28-38-24-26-47-31-38/h18-24,26-27,31,35H,4-17,25,28-30H2,1-3H3