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

Systemtic Name: 3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-benzaldehyde Openeye Name: 3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonyl-benzaldehyde CAS Name: 3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonylbenzaldehyde IUPAC Name: 3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonylbenzaldehyde Traditional Name: 3-[5-(chloromethyl)-2-isoxazolin-3-yl]-4-mesyl-2-methyl-benzaldehyde Formula: C13H14ClNO4S MolecularWeight: 315.77256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4S/c1-8-9(7-16)3-4-12(20(2,17)18)13(8)11-5-10(6-14)19-15-11/h3-4,7,10H,5-6H2,1-2H3