1-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 1-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]propane-1-sulfonic acid Openeye Name: 1-[5-(3-cyanophenyl)isoxazol-3-yl]propane-1-sulfonic acid CAS Name: 1-[5-(3-cyanophenyl)-3-isoxazolyl]-1-propanesulfonic acid IUPAC Name: 1-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]propane-1-sulfonic acid Traditional Name: 1-[5-(3-cyanophenyl)isoxazol-3-yl]propane-1-sulfonic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NOC(=C1)C2=CC=CC(=C2)C#N)S(=O)(=O)O

Isomeric SMILES

CCC(C1=NOC(=C1)C2=CC=CC(=C2)C#N)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-2-13(20(16,17)18)11-7-12(19-15-11)10-5-3-4-9(6-10)8-14/h3-7,13H,2H2,1H3,(H,16,17,18)