1-chloranyl-4-[1-(2-sulfosulfanylethylamino)butan-2-yl]benzene

Systemtic Name: 1-chloranyl-4-[1-(2-sulfosulfanylethylamino)butan-2-yl]benzene Openeye Name: 1-chloro-4-[1-[(2-sulfosulfanylethylamino)methyl]propyl]benzene CAS Name: 1-chloro-4-[1-[2-(sulfothio)ethylamino]butan-2-yl]benzene IUPAC Name: 1-chloro-4-[1-(2-sulfosulfanylethylamino)butan-2-yl]benzene Traditional Name: 1-chloro-4-[1-[[2-(sulfothio)ethylamino]methyl]propyl]benzene Formula: C12H18ClNO3S2 MolecularWeight: 323.85922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCSS(=O)(=O)O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(CNCCSS(=O)(=O)O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H18ClNO3S2/c1-2-10(11-3-5-12(13)6-4-11)9-14-7-8-18-19(15,16)17/h3-6,10,14H,2,7-9H2,1H3,(H,15,16,17)