(4-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate

Systemtic Name: (4-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: (4-hexadecoxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: (4-hexadecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: (4-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: (4-cetyloxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C32H46NO5PS MolecularWeight: 587.750101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-36-30-19-21-31(22-20-30)37-39(34,35)38-32-18-16-17-29(26-32)27-33-23-25-40-28-33/h16-23,25-26,28H,2-15,24,27H2,1H3