(4-hexadecoxy-2-methoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxy-2-methoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-methoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-methoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-methoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-methoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H49NO6PS+ MolecularWeight: 618.784021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)OC

InChI

InChI=1S/C33H48NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-38-28-22-23-31(32(27-28)37-3)40-41(35,36)39-30-21-18-17-20-29(30)33-34(2)24-26-42-33/h17-18,20-24,26-27H,4-16,19,25H2,1-3H3/p+1