3-bromanyl-4-methoxy-5-thiocyanato-benzoic acid

Systemtic Name: 3-bromanyl-4-methoxy-5-thiocyanato-benzoic acid Openeye Name: 3-bromo-4-methoxy-5-thiocyanato-benzoic acid CAS Name: 3-bromo-4-methoxy-5-thiocyanatobenzoic acid IUPAC Name: 3-bromo-4-methoxy-5-thiocyanatobenzoic acid Traditional Name: 3-bromo-4-methoxy-5-thiocyanato-benzoic acid Formula: C9H6BrNO3S MolecularWeight: 288.11784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C(=O)O)SC#N

Isomeric SMILES

COC1=C(C=C(C=C1Br)C(=O)O)SC#N

InChI

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