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

Systemtic Name: 2-methyl-1-methylsulfanyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene Openeye Name: 2-methyl-1-methylsulfanyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene CAS Name: 2-methyl-1-(methylthio)-4-[4-[2-(sulfothio)ethylamino]butoxy]benzene IUPAC Name: 2-methyl-1-methylsulfanyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene Traditional Name: 2-methyl-1-(methylthio)-4-[4-[2-(sulfothio)ethylamino]butoxy]benzene Formula: C14H23NO4S3 MolecularWeight: 365.53172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO4S3/c1-12-11-13(5-6-14(12)20-2)19-9-4-3-7-15-8-10-21-22(16,17)18/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,16,17,18)