2-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonic acid

Systemtic Name: 2-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonic acid Openeye Name: 2-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonic acid CAS Name: 2-[(6,8-dimercapto-1-oxooctyl)amino]ethanesulfonic acid IUPAC Name: 2-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonic acid Traditional Name: 2-(6,8-dimercaptooctanoylamino)ethanesulfonic acid Formula: C10H21NO4S3 MolecularWeight: 315.47304

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NCCS(=O)(=O)O)CC(CCS)S

Isomeric SMILES

C(CCC(=O)NCCS(=O)(=O)O)CC(CCS)S

InChI

InChI=1S/C10H21NO4S3/c12-10(11-6-8-18(13,14)15)4-2-1-3-9(17)5-7-16/h9,16-17H,1-8H2,(H,11,12)(H,13,14,15)