[2-(butylamino)-1-sulfosulfanyl-ethyl]benzene

Systemtic Name: [2-(butylamino)-1-sulfosulfanyl-ethyl]benzene Openeye Name: [2-(butylamino)-1-sulfosulfanyl-ethyl]benzene CAS Name: [2-(butylamino)-1-(sulfothio)ethyl]benzene IUPAC Name: [2-(butylamino)-1-sulfosulfanylethyl]benzene Traditional Name: [2-(butylamino)-1-(sulfothio)ethyl]benzene Formula: C12H19NO3S2 MolecularWeight: 289.41416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C1=CC=CC=C1)SS(=O)(=O)O

Isomeric SMILES

CCCCNCC(C1=CC=CC=C1)SS(=O)(=O)O

InChI

InChI=1S/C12H19NO3S2/c1-2-3-9-13-10-12(17-18(14,15)16)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,14,15,16)