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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC(C2)CCl)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC(C2)CCl)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H14ClNO5S/c1-7-9(13(16)17)3-4-11(21(2,18)19)12(7)10-5-8(6-14)20-15-10/h3-4,8H,5-6H2,1-2H3,(H,16,17)