4-[6,8-bis(sulfanyl)octanoylamino]benzenesulfonic acid

Systemtic Name: 4-[6,8-bis(sulfanyl)octanoylamino]benzenesulfonic acid Openeye Name: 4-[6,8-bis(sulfanyl)octanoylamino]benzenesulfonic acid CAS Name: 4-[(6,8-dimercapto-1-oxooctyl)amino]benzenesulfonic acid IUPAC Name: 4-[6,8-bis(sulfanyl)octanoylamino]benzenesulfonic acid Traditional Name: 4-(6,8-dimercaptooctanoylamino)besylic acid Formula: C14H21NO4S3 MolecularWeight: 363.51584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCCC(CCS)S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCCC(CCS)S)S(=O)(=O)O

InChI

InChI=1S/C14H21NO4S3/c16-14(4-2-1-3-12(21)9-10-20)15-11-5-7-13(8-6-11)22(17,18)19/h5-8,12,20-21H,1-4,9-10H2,(H,15,16)(H,17,18,19)