3,4-bis(azepan-1-ylcarbothioyldisulfanyl)butanoic acid

Systemtic Name: 3,4-bis(azepan-1-ylcarbothioyldisulfanyl)butanoic acid Openeye Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butanoic acid CAS Name: 3,4-bis[[1-azepanyl(sulfanylidene)methyl]disulfanyl]butanoic acid IUPAC Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butanoic acid Traditional Name: 3,4-bis(azepane-1-carbothioyldisulfanyl)butyric acid Formula: C18H30N2O2S6 MolecularWeight: 498.833

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SSCC(CC(=O)O)SSC(=S)N2CCCCCC2

Isomeric SMILES

C1CCCN(CC1)C(=S)SSCC(CC(=O)O)SSC(=S)N2CCCCCC2

InChI

InChI=1S/C18H30N2O2S6/c21-16(22)13-15(26-28-18(24)20-11-7-3-4-8-12-20)14-25-27-17(23)19-9-5-1-2-6-10-19/h15H,1-14H2,(H,21,22)