5-methyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonic acid

Systemtic Name: 5-methyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonic acid Openeye Name: 5-methyl-2-thioxo-3H-1,3-benzoxazole-7-sulfonic acid CAS Name: 5-methyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonic acid IUPAC Name: 5-methyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonic acid Traditional Name: 5-methyl-2-thioxo-3H-1,3-benzoxazole-7-sulfonic acid Formula: C8H7NO4S2 MolecularWeight: 245.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)OC(=S)N2

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)OC(=S)N2

InChI

InChI=1S/C8H7NO4S2/c1-4-2-5-7(13-8(14)9-5)6(3-4)15(10,11)12/h2-3H,1H3,(H,9,14)(H,10,11,12)