1-methyl-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene

Systemtic Name: 1-methyl-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene Openeye Name: 1-methyl-3-[1-[(2-sulfosulfanylethylamino)methyl]propoxy]benzene CAS Name: 1-methyl-3-[1-[2-(sulfothio)ethylamino]butan-2-yloxy]benzene IUPAC Name: 1-methyl-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene Traditional Name: 1-methyl-3-[1-[[2-(sulfothio)ethylamino]methyl]propoxy]benzene Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCSS(=O)(=O)O)OC1=CC=CC(=C1)C

Isomeric SMILES

CCC(CNCCSS(=O)(=O)O)OC1=CC=CC(=C1)C

InChI

InChI=1S/C13H21NO4S2/c1-3-12(10-14-7-8-19-20(15,16)17)18-13-6-4-5-11(2)9-13/h4-6,9,12,14H,3,7-8,10H2,1-2H3,(H,15,16,17)