5-dodec-1-ynyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carbonitrile

Systemtic Name: 5-dodec-1-ynyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carbonitrile Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-dodec-1-ynyl-imidazole-4-carbonitrile CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-dodec-1-ynyl-4-imidazolecarbonitrile IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-dodec-1-ynylimidazole-4-carbonitrile Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-5-dodec-1-ynyl-imidazole-4-carbonitrile Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=C(N=CN1C2C(C(C(O2)CO)O)O)C#N

Isomeric SMILES

CCCCCCCCCCC#CC1=C(N=CN1C2C(C(C(O2)CO)O)O)C#N

InChI

InChI=1S/C21H31N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-16(13-22)23-15-24(17)21-20(27)19(26)18(14-25)28-21/h15,18-21,25-27H,2-10,14H2,1H3