zinc 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hexoxy-4-oxidanylidene-butanoate

Systemtic Name: zinc 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hexoxy-4-oxidanylidene-butanoate Openeye Name: zinc 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hexoxy-4-oxo-butanoate CAS Name: zinc 2-[(1H-benzimidazol-2-ylthio)methyl]-4-hexoxy-4-oxobutanoate IUPAC Name: zinc 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-hexoxy-4-oxobutanoate Traditional Name: zinc 2-[(1H-benzimidazol-2-ylthio)methyl]-4-hexoxy-4-keto-butyrate Formula: C18H23N2O4SZn+ MolecularWeight: 428.86022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(CSC1=NC2=CC=CC=C2N1)C(=O)[O-].[Zn+2]

Isomeric SMILES

CCCCCCOC(=O)CC(CSC1=NC2=CC=CC=C2N1)C(=O)[O-].[Zn+2]

InChI

InChI=1S/C18H24N2O4S.Zn/c1-2-3-4-7-10-24-16(21)11-13(17(22)23)12-25-18-19-14-8-5-6-9-15(14)20-18;/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H,19,20)(H,22,23);/q;+2/p-1