(E)-7-pentyl-12-pyridin-2-yl-dodec-5-en-11-yne-1,10-diol

Systemtic Name: (E)-7-pentyl-12-pyridin-2-yl-dodec-5-en-11-yne-1,10-diol Openeye Name: (E)-7-pentyl-12-(2-pyridyl)dodec-5-en-11-yne-1,10-diol CAS Name: (E)-7-pentyl-12-(2-pyridinyl)dodec-5-en-11-yne-1,10-diol IUPAC Name: (E)-7-pentyl-12-pyridin-2-yldodec-5-en-11-yne-1,10-diol Traditional Name: (E)-7-amyl-12-(2-pyridyl)dodec-5-en-11-yne-1,10-diol Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C#CC1=CC=CC=N1)O)C=CCCCCO

Isomeric SMILES

CCCCCC(CCC(C#CC1=CC=CC=N1)O)/C=C/CCCCO

InChI

InChI=1S/C22H33NO2/c1-2-3-6-11-20(12-7-4-5-10-19-24)14-16-22(25)17-15-21-13-8-9-18-23-21/h7-9,12-13,18,20,22,24-25H,2-6,10-11,14,16,19H2,1H3/b12-7+