5-bromanyl-4-isothiocyanato-2-methoxy-benzoate

Systemtic Name: 5-bromanyl-4-isothiocyanato-2-methoxy-benzoate Openeye Name: 5-bromo-4-isothiocyanato-2-methoxy-benzoate CAS Name: 5-bromo-4-isothiocyanato-2-methoxybenzoate IUPAC Name: 5-bromo-4-isothiocyanato-2-methoxybenzoate Traditional Name: 5-bromo-4-isothiocyanato-2-methoxy-benzoate Formula: C9H5BrNO3S- MolecularWeight: 287.1099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])Br)N=C=S

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])Br)N=C=S

InChI

InChI=1S/C9H6BrNO3S/c1-14-8-3-7(11-4-15)6(10)2-5(8)9(12)13/h2-3H,1H3,(H,12,13)/p-1