3-methyl-4-phenyl-1,2-oxazole-5-sulfonic acid

Systemtic Name: 3-methyl-4-phenyl-1,2-oxazole-5-sulfonic acid Openeye Name: 3-methyl-4-phenyl-isoxazole-5-sulfonic acid CAS Name: 3-methyl-4-phenyl-5-isoxazolesulfonic acid IUPAC Name: 3-methyl-4-phenyl-1,2-oxazole-5-sulfonic acid Traditional Name: 3-methyl-4-phenyl-isoxazole-5-sulfonic acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4S/c1-7-9(8-5-3-2-4-6-8)10(15-11-7)16(12,13)14/h2-6H,1H3,(H,12,13,14)