2-azanyl-6-(4-oxidanylthian-4-yl)benzoic acid

Systemtic Name: 2-azanyl-6-(4-oxidanylthian-4-yl)benzoic acid Openeye Name: 2-amino-6-(4-hydroxytetrahydrothiopyran-4-yl)benzoic acid CAS Name: 2-amino-6-(4-hydroxy-4-thianyl)benzoic acid IUPAC Name: 2-amino-6-(4-hydroxythian-4-yl)benzoic acid Traditional Name: 2-amino-6-(4-hydroxytetrahydrothiopyran-4-yl)benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1(C2=C(C(=CC=C2)N)C(=O)O)O

Isomeric SMILES

C1CSCCC1(C2=C(C(=CC=C2)N)C(=O)O)O

InChI

InChI=1S/C12H15NO3S/c13-9-3-1-2-8(10(9)11(14)15)12(16)4-6-17-7-5-12/h1-3,16H,4-7,13H2,(H,14,15)