2-chloranyl-5-methyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-methyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-5-methyl-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-5-methyl-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-5-methyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-5-methyl-3-(3-methyl-2-isoxazolin-5-yl)benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=C(C(=CC(=C2S(=O)(=O)C)C)C(=O)O)Cl

Isomeric SMILES

CC1=NOC(C1)C2=C(C(=CC(=C2S(=O)(=O)C)C)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c1-6-4-8(13(16)17)11(14)10(12(6)21(3,18)19)9-5-7(2)15-20-9/h4,9H,5H2,1-3H3,(H,16,17)