5-ethyl-5-methoxy-6-[4-(2-sulfosulfanylethylamino)butoxy]cyclohexa-1,3-diene

Systemtic Name: 5-ethyl-5-methoxy-6-[4-(2-sulfosulfanylethylamino)butoxy]cyclohexa-1,3-diene Openeye Name: 5-ethyl-5-methoxy-6-[4-(2-sulfosulfanylethylamino)butoxy]cyclohexa-1,3-diene CAS Name: 5-ethyl-5-methoxy-6-[4-[2-(sulfothio)ethylamino]butoxy]cyclohexa-1,3-diene IUPAC Name: 5-ethyl-5-methoxy-6-[4-(2-sulfosulfanylethylamino)butoxy]cyclohexa-1,3-diene Traditional Name: 5-ethyl-5-methoxy-6-[4-[2-(sulfothio)ethylamino]butoxy]cyclohexa-1,3-diene Formula: C15H27NO5S2 MolecularWeight: 365.50858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC=CC1OCCCCNCCSS(=O)(=O)O)OC

Isomeric SMILES

CCC1(C=CC=CC1OCCCCNCCSS(=O)(=O)O)OC

InChI

InChI=1S/C15H27NO5S2/c1-3-15(20-2)9-5-4-8-14(15)21-12-7-6-10-16-11-13-22-23(17,18)19/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3,(H,17,18,19)