1-methyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane

Systemtic Name: 1-methyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane Openeye Name: 1-methyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane CAS Name: 1-methyl-4-[4-[2-(sulfothio)ethylamino]butyl]cyclohexane IUPAC Name: 1-methyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane Traditional Name: 1-methyl-4-[4-[2-(sulfothio)ethylamino]butyl]cyclohexane Formula: C13H27NO3S2 MolecularWeight: 309.48838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)CCCCNCCSS(=O)(=O)O

Isomeric SMILES

CC1CCC(CC1)CCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C13H27NO3S2/c1-12-5-7-13(8-6-12)4-2-3-9-14-10-11-18-19(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)