butyl 4-isothiocyanatobenzoate

Systemtic Name: butyl 4-isothiocyanatobenzoate Openeye Name: butyl 4-isothiocyanatobenzoate CAS Name: 4-isothiocyanatobenzoic acid butyl ester IUPAC Name: butyl 4-isothiocyanatobenzoate Traditional Name: 4-isothiocyanatobenzoic acid butyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C12H13NO2S/c1-2-3-8-15-12(14)10-4-6-11(7-5-10)13-9-16/h4-7H,2-3,8H2,1H3