2-azanyl-5-(4-oxidanylthian-4-yl)benzoic acid

Systemtic Name: 2-azanyl-5-(4-oxidanylthian-4-yl)benzoic acid Openeye Name: 2-amino-5-(4-hydroxytetrahydrothiopyran-4-yl)benzoic acid CAS Name: 2-amino-5-(4-hydroxy-4-thianyl)benzoic acid IUPAC Name: 2-amino-5-(4-hydroxythian-4-yl)benzoic acid Traditional Name: 2-amino-5-(4-hydroxytetrahydrothiopyran-4-yl)benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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