3-methyl-2-oxidanyl-5-thiocyanato-benzoic acid

Systemtic Name: 3-methyl-2-oxidanyl-5-thiocyanato-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-thiocyanato-benzoic acid CAS Name: 2-hydroxy-3-methyl-5-thiocyanatobenzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-thiocyanatobenzoic acid Traditional Name: 2-hydroxy-3-methyl-5-thiocyanato-benzoic acid Formula: C9H7NO3S MolecularWeight: 209.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)SC#N)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)SC#N)C(=O)O)O

InChI

InChI=1S/C9H7NO3S/c1-5-2-6(14-4-10)3-7(8(5)11)9(12)13/h2-3,11H,1H3,(H,12,13)