gallium 3,4-dimethylbenzoate

Systemtic Name: gallium 3,4-dimethylbenzoate Openeye Name: gallium 3,4-dimethylbenzoate CAS Name: gallium 3,4-dimethylbenzoate IUPAC Name: gallium 3,4-dimethylbenzoate Traditional Name: gallium 3,4-dimethylbenzoate Formula: C27H27GaO6 MolecularWeight: 517.22268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])C.CC1=C(C=C(C=C1)C(=O)[O-])C.CC1=C(C=C(C=C1)C(=O)[O-])C.[Ga+3]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])C.CC1=C(C=C(C=C1)C(=O)[O-])C.CC1=C(C=C(C=C1)C(=O)[O-])C.[Ga+3]

InChI

InChI=1S/3C9H10O2.Ga/c3*1-6-3-4-8(9(10)11)5-7(6)2;/h3*3-5H,1-2H3,(H,10,11);/q;;;+3/p-3