gallium-68(3+); 2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-olate

Systemtic Name: gallium-68(3+); 2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-olate Openeye Name: gallium-68(3+); 2-hydroxy-9,10-dioxo-anthracen-1-olate CAS Name: gallium-68(3+); 2-hydroxy-9,10-dioxo-1-anthracenolate IUPAC Name: gallium-68(3+); 2-hydroxy-9,10-dioxoanthracen-1-olate Traditional Name: gallium-68(3+); 2-hydroxy-9,10-diketo-anthracen-1-olate Formula: C42H21GaO12 MolecularWeight: 785.536923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[Ga+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[68Ga+3]

InChI

InChI=1S/3C14H8O4.Ga/c3*15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;/h3*1-6,15,18H;/q;;;+3/p-3/i;;;1-2