1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonic acid

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonic acid Openeye Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]cyclopropanesulfonic acid CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-cyclopropanesulfonic acid IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropane-1-sulfonic acid Traditional Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]cyclopropanesulfonic acid Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC2(CC2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CC2(CC2)S(=O)(=O)O

InChI

InChI=1S/C9H13NO4S/c1-6-8(7(2)14-10-6)5-9(3-4-9)15(11,12)13/h3-5H2,1-2H3,(H,11,12,13)