4-azanyl-2-methoxy-5-sulfanyl-benzoic acid

Systemtic Name: 4-azanyl-2-methoxy-5-sulfanyl-benzoic acid Openeye Name: 4-amino-2-methoxy-5-sulfanyl-benzoic acid CAS Name: 4-amino-5-mercapto-2-methoxybenzoic acid IUPAC Name: 4-amino-2-methoxy-5-sulfanylbenzoic acid Traditional Name: 4-amino-5-mercapto-2-methoxy-benzoic acid Formula: C8H9NO3S MolecularWeight: 199.22696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)S)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)S)N

InChI

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