(E,4R,5S)-7-iodanyl-4,5-dimethyl-4-(3-oxidanylidenepropyl)hept-2-enenitrile

Systemtic Name: (E,4R,5S)-7-iodanyl-4,5-dimethyl-4-(3-oxidanylidenepropyl)hept-2-enenitrile Openeye Name: (E,4R,5S)-7-iodo-4,5-dimethyl-4-(3-oxopropyl)hept-2-enenitrile CAS Name: (E,4R,5S)-7-iodo-4,5-dimethyl-4-(3-oxopropyl)-2-heptenenitrile IUPAC Name: (E,4R,5S)-7-iodo-4,5-dimethyl-4-(3-oxopropyl)hept-2-enenitrile Traditional Name: (E,4R,5S)-7-iodo-4-(3-ketopropyl)-4,5-dimethyl-hept-2-enenitrile Formula: C12H18INO MolecularWeight: 319.18189

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCI)C(C)(CCC=O)C=CC#N

Isomeric SMILES

C[C@@H](CCI)[C@@](C)(CCC=O)/C=C/C#N

InChI

InChI=1S/C12H18INO/c1-11(5-8-13)12(2,6-3-9-14)7-4-10-15/h3,6,10-11H,4-5,7-8H2,1-2H3/b6-3+/t11-,12+/m0/s1