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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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