1-methoxy-3-[1-(2-sulfosulfanylethylamino)butan-2-yl]benzene

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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