copper; (Z)-[(3-methanoyl-6-methyl-2-oxidanylidene-pyran-4-yl)amino]-phenyl-[sulfaniumyl(sulfanyl)methylidene]azanium

Systemtic Name: copper; (Z)-[(3-methanoyl-6-methyl-2-oxidanylidene-pyran-4-yl)amino]-phenyl-[sulfaniumyl(sulfanyl)methylidene]azanium Openeye Name: copper; (Z)-[(3-formyl-6-methyl-2-oxo-pyran-4-yl)amino]-phenyl-[sulfanyl(sulfonio)methylene]ammonium CAS Name: copper; (Z)-[(3-formyl-6-methyl-2-oxo-4-pyranyl)amino]-[mercapto(sulfaniumyl)methylidene]-phenylammonium IUPAC Name: copper; (Z)-[(3-formyl-6-methyl-2-oxopyran-4-yl)amino]-phenyl-[sulfaniumyl(sulfanyl)methylidene]azanium Traditional Name: copper; (Z)-[(3-formyl-2-keto-6-methyl-pyran-4-yl)amino]-[mercapto(sulfonio)methylene]-phenyl-ammonium Formula: C28H28CuN4O6S4+4 MolecularWeight: 708.35112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C=O)N[N+](=C([SH2+])S)C2=CC=CC=C2.CC1=CC(=C(C(=O)O1)C=O)N[N+](=C([SH2+])S)C2=CC=CC=C2.[Cu]

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C=O)N/[N+](=C(/S)\[SH2+])/C2=CC=CC=C2.CC1=CC(=C(C(=O)O1)C=O)N/[N+](=C(/S)\[SH2+])/C2=CC=CC=C2.[Cu]

InChI

InChI=1S/2C14H12N2O3S2.Cu/c2*1-9-7-12(11(8-17)13(18)19-9)15-16(14(20)21)10-5-3-2-4-6-10;/h2*2-8H,1H3,(H2,15,17,18,20,21);/p+4