5-azanyl-2-oxidanyl-benzoic acid; 2-(dimethylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 5-azanyl-2-oxidanyl-benzoic acid; 2-(dimethylamino)-3-sulfanyl-propanoic acid Openeye Name: 5-amino-2-hydroxy-benzoic acid; 2-(dimethylamino)-3-sulfanyl-propanoic acid CAS Name: 5-amino-2-hydroxybenzoic acid; 2-(dimethylamino)-3-mercaptopropanoic acid IUPAC Name: 5-amino-2-hydroxybenzoic acid; 2-(dimethylamino)-3-sulfanylpropanoic acid Traditional Name: 5-amino-2-hydroxy-benzoic acid; 2-(dimethylamino)-3-mercapto-propionic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CS)C(=O)O.C1=CC(=C(C=C1N)C(=O)O)O

Isomeric SMILES

CN(C)C(CS)C(=O)O.C1=CC(=C(C=C1N)C(=O)O)O

InChI

InChI=1S/C7H7NO3.C5H11NO2S/c8-4-1-2-6(9)5(3-4)7(10)11;1-6(2)4(3-9)5(7)8/h1-3,9H,8H2,(H,10,11);4,9H,3H2,1-2H3,(H,7,8)