3-chloranyl-4-methyl-5-thiocyanato-benzoic acid

Systemtic Name: 3-chloranyl-4-methyl-5-thiocyanato-benzoic acid Openeye Name: 3-chloro-4-methyl-5-thiocyanato-benzoic acid CAS Name: 3-chloro-4-methyl-5-thiocyanatobenzoic acid IUPAC Name: 3-chloro-4-methyl-5-thiocyanatobenzoic acid Traditional Name: 3-chloro-4-methyl-5-thiocyanato-benzoic acid Formula: C9H6ClNO2S MolecularWeight: 227.66744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)O)SC#N

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)O)SC#N

InChI

InChI=1S/C9H6ClNO2S/c1-5-7(10)2-6(9(12)13)3-8(5)14-4-11/h2-3H,1H3,(H,12,13)