1-(2-sulfosulfanylethylamino)butan-2-ylbenzene

Systemtic Name: 1-(2-sulfosulfanylethylamino)butan-2-ylbenzene Openeye Name: 1-[(2-sulfosulfanylethylamino)methyl]propylbenzene CAS Name: 1-[2-(sulfothio)ethylamino]butan-2-ylbenzene IUPAC Name: 1-(2-sulfosulfanylethylamino)butan-2-ylbenzene Traditional Name: 1-[[2-(sulfothio)ethylamino]methyl]propylbenzene Formula: C12H19NO3S2 MolecularWeight: 289.41416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCSS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCC(CNCCSS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C12H19NO3S2/c1-2-11(12-6-4-3-5-7-12)10-13-8-9-17-18(14,15)16/h3-7,11,13H,2,8-10H2,1H3,(H,14,15,16)