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

Systemtic Name: 2-[6,8-bis(sulfanyl)octanoylamino]benzoic acid Openeye Name: 2-[6,8-bis(sulfanyl)octanoylamino]benzoic acid CAS Name: 2-[(6,8-dimercapto-1-oxooctyl)amino]benzoic acid IUPAC Name: 2-[6,8-bis(sulfanyl)octanoylamino]benzoic acid Traditional Name: 2-(6,8-dimercaptooctanoylamino)benzoic acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(CCS)S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(CCS)S

InChI

InChI=1S/C15H21NO3S2/c17-14(8-4-1-5-11(21)9-10-20)16-13-7-3-2-6-12(13)15(18)19/h2-3,6-7,11,20-21H,1,4-5,8-10H2,(H,16,17)(H,18,19)