7-(2-methylpropylsulfanyl)-2,1,3-benzoxadiazole-4-sulfonic acid

Systemtic Name: 7-(2-methylpropylsulfanyl)-2,1,3-benzoxadiazole-4-sulfonic acid Openeye Name: 7-isobutylsulfanyl-2,1,3-benzoxadiazole-4-sulfonic acid CAS Name: 7-(2-methylpropylthio)-2,1,3-benzoxadiazole-4-sulfonic acid IUPAC Name: 7-(2-methylpropylsulfanyl)-2,1,3-benzoxadiazole-4-sulfonic acid Traditional Name: 7-(isobutylthio)benzofurazan-4-sulfonic acid Formula: C10H12N2O4S2 MolecularWeight: 288.34328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=C(C2=NON=C12)S(=O)(=O)O

Isomeric SMILES

CC(C)CSC1=CC=C(C2=NON=C12)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O4S2/c1-6(2)5-17-7-3-4-8(18(13,14)15)10-9(7)11-16-12-10/h3-4,6H,5H2,1-2H3,(H,13,14,15)