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

Systemtic Name: (4-hexadecoxy-2-methyl-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-methyl-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-methylphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-methylphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-methyl-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H49NO5PS+ MolecularWeight: 602.784621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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