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

Systemtic Name: (3-hexadecoxy-2-methyl-phenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: (3-hexadecoxy-2-methyl-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: (3-hexadecoxy-2-methylphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: (3-hexadecoxy-2-methylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: (3-cetyloxy-2-methyl-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C33H48NO5PS MolecularWeight: 601.776681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48NO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-37-32-21-18-22-33(29(32)2)39-40(35,36)38-31-20-17-19-30(26-31)27-34-23-25-41-28-34/h17-23,25-26,28H,3-16,24,27H2,1-2H3