5-bromanyl-1-chloranyl-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene

Systemtic Name: 5-bromanyl-1-chloranyl-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene Openeye Name: 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene CAS Name: 5-bromo-1-chloro-3-methyl-2-[4-[2-(sulfothio)ethylamino]butyl]benzene IUPAC Name: 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene Traditional Name: 5-bromo-1-chloro-3-methyl-2-[4-[2-(sulfothio)ethylamino]butyl]benzene Formula: C13H19BrClNO3S2 MolecularWeight: 416.78186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCCCNCCSS(=O)(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1CCCCNCCSS(=O)(=O)O)Cl)Br

InChI

InChI=1S/C13H19BrClNO3S2/c1-10-8-11(14)9-13(15)12(10)4-2-3-5-16-6-7-20-21(17,18)19/h8-9,16H,2-7H2,1H3,(H,17,18,19)