2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid

Systemtic Name: 2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid Openeye Name: 2-chloro-3-(4,5-dihydroisoxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid CAS Name: 2-chloro-3-(4,5-dihydroisoxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid IUPAC Name: 2-chloro-3-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid Traditional Name: 2-chloro-3-(2-isoxazolin-3-ylmethyl)-4-(sulfonylmethyl)benzoic acid Formula: C12H10ClNO5S MolecularWeight: 315.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1CON=C1CC2=C(C=CC(=C2Cl)C(=O)O)C=S(=O)=O

Isomeric SMILES

C1CON=C1CC2=C(C=CC(=C2Cl)C(=O)O)C=S(=O)=O

InChI

InChI=1S/C12H10ClNO5S/c13-11-9(12(15)16)2-1-7(6-20(17)18)10(11)5-8-3-4-19-14-8/h1-2,6H,3-5H2,(H,15,16)