(2Z,7S)-7-isocyanato-7-pentyl-cyclooct-2-en-1-one

Systemtic Name: (2Z,7S)-7-isocyanato-7-pentyl-cyclooct-2-en-1-one Openeye Name: (2Z,7S)-7-isocyanato-7-pentyl-cyclooct-2-en-1-one CAS Name: (2Z,7S)-7-isocyanato-7-pentyl-1-cyclooct-2-enone IUPAC Name: (2Z,7S)-7-isocyanato-7-pentylcyclooct-2-en-1-one Traditional Name: (2Z,7S)-7-amyl-7-isocyanato-cyclooct-2-en-1-one Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCCC=CC(=O)C1)N=C=O

Isomeric SMILES

CCCCC[C@@]1(CCC/C=C\C(=O)C1)N=C=O

InChI

InChI=1S/C14H21NO2/c1-2-3-6-9-14(15-12-16)10-7-4-5-8-13(17)11-14/h5,8H,2-4,6-7,9-11H2,1H3/b8-5-/t14-/m0/s1