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

Systemtic Name: 3-[5,5-bis(chloromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-[5,5-bis(chloromethyl)-4H-isoxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-[5,5-bis(chloromethyl)-4H-isoxazol-3-yl]-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-[5,5-bis(chloromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-[5,5-bis(chloromethyl)-2-isoxazolin-3-yl]-4-mesyl-2-methyl-benzoic acid Formula: C14H15Cl2NO5S MolecularWeight: 380.2436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2NO5S/c1-8-9(13(18)19)3-4-11(23(2,20)21)12(8)10-5-14(6-15,7-16)22-17-10/h3-4H,5-7H2,1-2H3,(H,18,19)