1-methoxy-4-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene

Systemtic Name: 1-methoxy-4-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene Openeye Name: 1-methoxy-4-[1-[(2-sulfosulfanylethylamino)methyl]propoxy]benzene CAS Name: 1-methoxy-4-[1-[2-(sulfothio)ethylamino]butan-2-yloxy]benzene IUPAC Name: 1-methoxy-4-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene Traditional Name: 1-methoxy-4-[1-[[2-(sulfothio)ethylamino]methyl]propoxy]benzene Formula: C13H21NO5S2 MolecularWeight: 335.43954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO5S2/c1-3-11(10-14-8-9-20-21(15,16)17)19-13-6-4-12(18-2)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3,(H,15,16,17)