4-bromanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 4-bromo-3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 4-bromo-3-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 4-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 4-bromo-3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H12BrNO5S MolecularWeight: 374.20708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H12BrNO5S/c1-7-10(8(2)20-15-7)6-21(18,19)12-5-9(13(16)17)3-4-11(12)14/h3-5H,6H2,1-2H3,(H,16,17)