1-[6,8-bis(sulfanyl)octanoylamino]ethanesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)CCCCC(CCS)S)S(=O)(=O)O

Isomeric SMILES

CC(NC(=O)CCCCC(CCS)S)S(=O)(=O)O

InChI

InChI=1S/C10H21NO4S3/c1-8(18(13,14)15)11-10(12)5-3-2-4-9(17)6-7-16/h8-9,16-17H,2-7H2,1H3,(H,11,12)(H,13,14,15)