sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]hexanoate

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]hexanoate Openeye Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]hexanoate CAS Name: sodium zinc 2-[(6,8-dimercapto-1-oxooctyl)amino]hexanoate IUPAC Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]hexanoate Traditional Name: sodium zinc 2-(6,8-dimercaptooctanoylamino)hexanoate Formula: C28H52N2NaO6S4Zn+ MolecularWeight: 729.38105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])NC(=O)CCCCC(CCS)S.CCCCC(C(=O)[O-])NC(=O)CCCCC(CCS)S.[Na+].[Zn+2]

Isomeric SMILES

CCCCC(C(=O)[O-])NC(=O)CCCCC(CCS)S.CCCCC(C(=O)[O-])NC(=O)CCCCC(CCS)S.[Na+].[Zn+2]

InChI

InChI=1S/2C14H27NO3S2.Na.Zn/c2*1-2-3-7-12(14(17)18)15-13(16)8-5-4-6-11(20)9-10-19;;/h2*11-12,19-20H,2-10H2,1H3,(H,15,16)(H,17,18);;/q;;+1;+2/p-2