4-azanyl-3-methoxy-5-sulfanyl-benzoic acid

Systemtic Name: 4-azanyl-3-methoxy-5-sulfanyl-benzoic acid Openeye Name: 4-amino-3-methoxy-5-sulfanyl-benzoic acid CAS Name: 4-amino-3-mercapto-5-methoxybenzoic acid IUPAC Name: 4-amino-3-methoxy-5-sulfanylbenzoic acid Traditional Name: 4-amino-3-mercapto-5-methoxy-benzoic acid Formula: C8H9NO3S MolecularWeight: 199.22696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)S)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)S)N

InChI

InChI=1S/C8H9NO3S/c1-12-5-2-4(8(10)11)3-6(13)7(5)9/h2-3,13H,9H2,1H3,(H,10,11)