1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene

Systemtic Name: 1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene Openeye Name: 1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene CAS Name: 1-methyl-3-[4-[2-(sulfothio)ethylamino]butoxy]benzene IUPAC Name: 1-methyl-3-[4-(2-sulfosulfanylethylamino)butoxy]benzene Traditional Name: 1-methyl-3-[4-[2-(sulfothio)ethylamino]butoxy]benzene Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCNCCSS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCNCCSS(=O)(=O)O

InChI

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