2-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-isopropylisoxazol-3-yl)methylsulfonyl]acetic acid CAS Name: 2-[(5-propan-2-yl-3-isoxazolyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]acetic acid Traditional Name: 2-[(5-isopropylisoxazol-3-yl)methylsulfonyl]acetic acid Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NO1)CS(=O)(=O)CC(=O)O

Isomeric SMILES

CC(C)C1=CC(=NO1)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H13NO5S/c1-6(2)8-3-7(10-15-8)4-16(13,14)5-9(11)12/h3,6H,4-5H2,1-2H3,(H,11,12)