7-(2-methylpropylsulfanylmethyl)-2,1,3-benzoxadiazole-4-sulfonate

Systemtic Name: 7-(2-methylpropylsulfanylmethyl)-2,1,3-benzoxadiazole-4-sulfonate Openeye Name: 7-(isobutylsulfanylmethyl)-2,1,3-benzoxadiazole-4-sulfonate CAS Name: 7-[(2-methylpropylthio)methyl]-2,1,3-benzoxadiazole-4-sulfonate IUPAC Name: 7-(2-methylpropylsulfanylmethyl)-2,1,3-benzoxadiazole-4-sulfonate Traditional Name: 7-[(isobutylthio)methyl]benzofurazan-4-sulfonate Formula: C11H13N2O4S2- MolecularWeight: 301.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=CC=C(C2=NON=C12)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CSCC1=CC=C(C2=NON=C12)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14N2O4S2/c1-7(2)5-18-6-8-3-4-9(19(14,15)16)11-10(8)12-17-13-11/h3-4,7H,5-6H2,1-2H3,(H,14,15,16)/p-1