2-[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]sulfanylethanoate Openeye Name: 2-[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]sulfanylacetate CAS Name: 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]thio]acetate IUPAC Name: 2-[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]sulfanylacetate Traditional Name: 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]thio]acetate Formula: C13H9N2O4S- MolecularWeight: 289.28656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C#N)SCC(=O)[O-])O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C#N)SCC(=O)[O-])O

InChI

InChI=1S/C13H10N2O4S/c1-19-10-3-8(2-9(5-14)6-15)4-11(13(10)18)20-7-12(16)17/h2-4,18H,7H2,1H3,(H,16,17)/p-1