5-hexadecyl-3-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]-6-oxidanylidene-1-phenyl-pyrimidin-3-ium-4-olate

Systemtic Name: 5-hexadecyl-3-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]-6-oxidanylidene-1-phenyl-pyrimidin-3-ium-4-olate Openeye Name: 5-hexadecyl-3-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]-6-oxo-1-phenyl-pyrimidin-3-ium-4-olate CAS Name: 5-hexadecyl-3-methyl-2-[2-(2-methyl-1-oxoprop-2-enoxy)ethylthio]-6-oxo-1-phenyl-4-pyrimidin-3-iumolate IUPAC Name: 5-hexadecyl-3-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]-6-oxo-1-phenylpyrimidin-3-ium-4-olate Traditional Name: 5-cetyl-6-keto-2-(2-methacryloyloxyethylthio)-3-methyl-1-phenyl-pyrimidin-3-ium-4-olate Formula: C33H50N2O4S MolecularWeight: 570.8261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCCOC(=O)C(=C)C)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCCOC(=O)C(=C)C)C)[O-]

InChI

InChI=1S/C33H50N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29-30(36)34(4)33(40-26-25-39-32(38)27(2)3)35(31(29)37)28-22-19-18-20-23-28/h18-20,22-23H,2,5-17,21,24-26H2,1,3-4H3