(Z)-5-bromanyl-9-oxidanyl-8-(phenylcarbonyl)tetradec-5-enenitrile

Systemtic Name: (Z)-5-bromanyl-9-oxidanyl-8-(phenylcarbonyl)tetradec-5-enenitrile Openeye Name: (Z)-8-benzoyl-5-bromo-9-hydroxy-tetradec-5-enenitrile CAS Name: (Z)-8-benzoyl-5-bromo-9-hydroxy-5-tetradecenenitrile IUPAC Name: (Z)-8-benzoyl-5-bromo-9-hydroxytetradec-5-enenitrile Traditional Name: (Z)-8-benzoyl-5-bromo-9-hydroxy-tetradec-5-enenitrile Formula: C21H28BrNO2 MolecularWeight: 406.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=C(CCCC#N)Br)C(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC(C(C/C=C(/CCCC#N)\Br)C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C21H28BrNO2/c1-2-3-5-13-20(24)19(15-14-18(22)12-8-9-16-23)21(25)17-10-6-4-7-11-17/h4,6-7,10-11,14,19-20,24H,2-3,5,8-9,12-13,15H2,1H3/b18-14-