1,2-dimethyl-3-[4-(2-sulfosulfanylethylamino)butyl]benzene

Systemtic Name: 1,2-dimethyl-3-[4-(2-sulfosulfanylethylamino)butyl]benzene Openeye Name: 1,2-dimethyl-3-[4-(2-sulfosulfanylethylamino)butyl]benzene CAS Name: 1,2-dimethyl-3-[4-[2-(sulfothio)ethylamino]butyl]benzene IUPAC Name: 1,2-dimethyl-3-[4-(2-sulfosulfanylethylamino)butyl]benzene Traditional Name: 1,2-dimethyl-3-[4-[2-(sulfothio)ethylamino]butyl]benzene Formula: C14H23NO3S2 MolecularWeight: 317.46732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCCCNCCSS(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)CCCCNCCSS(=O)(=O)O)C

InChI

InChI=1S/C14H23NO3S2/c1-12-6-5-8-14(13(12)2)7-3-4-9-15-10-11-19-20(16,17)18/h5-6,8,15H,3-4,7,9-11H2,1-2H3,(H,16,17,18)