5-dodec-1-ynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione

Systemtic Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-dodec-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione IUPAC Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione Traditional Name: 5-dodec-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CN(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CN(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H30N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-20-18-25(23(27)24-22(20)26)30(28,29)21-16-14-19(2)15-17-21/h14-18H,3-11H2,1-2H3,(H,24,26,27)