3-(morpholin-4-ylmethylsulfanyl)-4-oxidanyl-benzoic acid

Systemtic Name: 3-(morpholin-4-ylmethylsulfanyl)-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-(morpholinomethylsulfanyl)benzoic acid CAS Name: 4-hydroxy-3-(4-morpholinylmethylthio)benzoic acid IUPAC Name: 4-hydroxy-3-(morpholin-4-ylmethylsulfanyl)benzoic acid Traditional Name: 4-hydroxy-3-(morpholinomethylthio)benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CSC2=C(C=CC(=C2)C(=O)O)O

Isomeric SMILES

C1COCCN1CSC2=C(C=CC(=C2)C(=O)O)O

InChI

InChI=1S/C12H15NO4S/c14-10-2-1-9(12(15)16)7-11(10)18-8-13-3-5-17-6-4-13/h1-2,7,14H,3-6,8H2,(H,15,16)