[[2-acetyloxy-3,5-di(propan-2-yl)phenyl]-oxidaniumylidene-methyl]oxidanium; copper

Systemtic Name: [[2-acetyloxy-3,5-di(propan-2-yl)phenyl]-oxidaniumylidene-methyl]oxidanium; copper Openeye Name: [(2-acetoxy-3,5-diisopropyl-phenyl)-oxonio-methylene]oxonium; copper CAS Name: [[2-acetyloxy-3,5-di(propan-2-yl)phenyl]-oxoniomethylidene]oxonium; copper IUPAC Name: [[2-acetyloxy-3,5-di(propan-2-yl)phenyl]-oxoniomethylidene]oxidanium; copper Traditional Name: [(2-acetoxy-3,5-diisopropyl-phenyl)-oxonio-methylene]oxonium; copper Formula: C60H88Cu2O16+8 MolecularWeight: 1192.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.[Cu].[Cu]

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=[OH+])[OH2+])OC(=O)C)C(C)C.[Cu].[Cu]

InChI

InChI=1S/4C15H20O4.2Cu/c4*1-8(2)11-6-12(9(3)4)14(19-10(5)16)13(7-11)15(17)18;;/h4*6-9H,1-5H3,(H,17,18);;/p+8