4-(2-sulfosulfanylethylamino)butoxycycloheptane

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OCCCCNCCSS(=O)(=O)O

Isomeric SMILES

C1CCCC(CC1)OCCCCNCCSS(=O)(=O)O

InChI

InChI=1S/C13H27NO4S2/c15-20(16,17)19-12-10-14-9-5-6-11-18-13-7-3-1-2-4-8-13/h13-14H,1-12H2,(H,15,16,17)