5-hexadecyl-2-hexadecylsulfanyl-6-oxidanyl-1,3-diphenyl-pyrimidin-1-ium-4-one

Systemtic Name: 5-hexadecyl-2-hexadecylsulfanyl-6-oxidanyl-1,3-diphenyl-pyrimidin-1-ium-4-one Openeye Name: 5-hexadecyl-2-hexadecylsulfanyl-6-hydroxy-1,3-diphenyl-pyrimidin-1-ium-4-one CAS Name: 5-hexadecyl-2-(hexadecylthio)-6-hydroxy-1,3-diphenyl-4-pyrimidin-1-iumone IUPAC Name: 5-hexadecyl-2-hexadecylsulfanyl-6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one Traditional Name: 5-cetyl-2-(cetylthio)-6-hydroxy-1,3-diphenyl-pyrimidin-1-ium-4-one Formula: C48H77N2O2S+ MolecularWeight: 746.20218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCCCCCCCCCCCCCCCC)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCCCCCCCCCCCCCCCC)C3=CC=CC=C3)O

InChI

InChI=1S/C48H76N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-41-45-46(51)49(43-37-31-29-32-38-43)48(50(47(45)52)44-39-33-30-34-40-44)53-42-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-34,37-40H,3-28,35-36,41-42H2,1-2H3/p+1