6,8-bis(sulfanyl)octanamide; hexanoic acid

Systemtic Name: 6,8-bis(sulfanyl)octanamide; hexanoic acid Openeye Name: 6,8-bis(sulfanyl)octanamide; hexanoic acid CAS Name: 6,8-dimercaptooctanamide; hexanoic acid IUPAC Name: 6,8-bis(sulfanyl)octanamide; hexanoic acid Traditional Name: 6,8-dimercaptocaprylamide; hexanoic acid Formula: C14H29NO3S2 MolecularWeight: 323.51496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.C(CCC(=O)N)CC(CCS)S

Isomeric SMILES

CCCCCC(=O)O.C(CCC(=O)N)CC(CCS)S

InChI

InChI=1S/C8H17NOS2.C6H12O2/c9-8(10)4-2-1-3-7(12)5-6-11;1-2-3-4-5-6(7)8/h7,11-12H,1-6H2,(H2,9,10);2-5H2,1H3,(H,7,8)