[2-(2,2-dimethylpropylamino)-1-sulfonatosulfanyl-ethyl]benzene

Systemtic Name: [2-(2,2-dimethylpropylamino)-1-sulfonatosulfanyl-ethyl]benzene Openeye Name: [2-(2,2-dimethylpropylamino)-1-sulfonatosulfanyl-ethyl]benzene CAS Name: [2-(2,2-dimethylpropylamino)-1-(sulfonatothio)ethyl]benzene IUPAC Name: [2-(2,2-dimethylpropylamino)-1-sulfonatosulfanylethyl]benzene Traditional Name: [2-(neopentylamino)-1-(sulfonatothio)ethyl]benzene Formula: C13H20NO3S2- MolecularWeight: 302.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNCC(C1=CC=CC=C1)SS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)CNCC(C1=CC=CC=C1)SS(=O)(=O)[O-]

InChI

InChI=1S/C13H21NO3S2/c1-13(2,3)10-14-9-12(18-19(15,16)17)11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,15,16,17)/p-1