6-isothiocyanatooct-7-en-4-one

Systemtic Name: 6-isothiocyanatooct-7-en-4-one Openeye Name: 6-isothiocyanatooct-7-en-4-one CAS Name: 6-isothiocyanato-7-octen-4-one IUPAC Name: 6-isothiocyanatooct-7-en-4-one Traditional Name: 6-isothiocyanatooct-7-en-4-one Formula: C9H13NOS MolecularWeight: 183.27062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(C=C)N=C=S

Isomeric SMILES

CCCC(=O)CC(C=C)N=C=S

InChI

InChI=1S/C9H13NOS/c1-3-5-9(11)6-8(4-2)10-7-12/h4,8H,2-3,5-6H2,1H3