2-methylidene-7-thiocyanato-heptanoate

Systemtic Name: 2-methylidene-7-thiocyanato-heptanoate Openeye Name: 2-methylene-7-thiocyanato-heptanoate CAS Name: 2-methylene-7-thiocyanatoheptanoate IUPAC Name: 2-methylidene-7-thiocyanatoheptanoate Traditional Name: 2-(5-thiocyanatopentyl)acrylate Formula: C9H12NO2S- MolecularWeight: 198.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCCCSC#N)C(=O)[O-]

Isomeric SMILES

C=C(CCCCCSC#N)C(=O)[O-]

InChI

InChI=1S/C9H13NO2S/c1-8(9(11)12)5-3-2-4-6-13-7-10/h1-6H2,(H,11,12)/p-1