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

Systemtic Name: 1-methoxy-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane Openeye Name: 1-methoxy-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane CAS Name: 1-methoxy-4-[4-[2-(sulfothio)ethylamino]butyl]cyclohexane IUPAC Name: 1-methoxy-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane Traditional Name: 1-methoxy-4-[4-[2-(sulfothio)ethylamino]butyl]cyclohexane Formula: C13H27NO4S2 MolecularWeight: 325.48778

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)CCCCNCCSS(=O)(=O)O

Isomeric SMILES

COC1CCC(CC1)CCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C13H27NO4S2/c1-18-13-7-5-12(6-8-13)4-2-3-9-14-10-11-19-20(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)