4-(tert-butyldiazenyl)-4-isothiocyanato-pentane-1-sulfonate; methane

Systemtic Name: 4-(tert-butyldiazenyl)-4-isothiocyanato-pentane-1-sulfonate; methane Openeye Name: 4-tert-butylazo-4-isothiocyanato-pentane-1-sulfonate; methane CAS Name: 4-tert-butylazo-4-isothiocyanato-1-pentanesulfonate; methane IUPAC Name: 4-(tert-butyldiazenyl)-4-isothiocyanatopentane-1-sulfonate; methane Traditional Name: 4-tert-butylazo-4-isothiocyanato-pentane-1-sulfonate; methane Formula: C11H22N3O3S2- MolecularWeight: 308.44068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)N=NC(C)(CCCS(=O)(=O)[O-])N=C=S

Isomeric SMILES

C.CC(C)(C)N=NC(C)(CCCS(=O)(=O)[O-])N=C=S

InChI

InChI=1S/C10H19N3O3S2.CH4/c1-9(2,3)12-13-10(4,11-8-17)6-5-7-18(14,15)16;/h5-7H2,1-4H3,(H,14,15,16);1H4/p-1