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gallium 2,3,4,5,6-pentamethylbenzoate

gallium 2,3,4,5,6-pentamethylbenzoate

Systemtic Name:gallium 2,3,4,5,6-pentamethylbenzoate
Openeye Name:gallium 2,3,4,5,6-pentamethylbenzoate
CAS Name:gallium 2,3,4,5,6-pentamethylbenzoate
IUPAC Name:gallium 2,3,4,5,6-pentamethylbenzoate
Traditional Name:gallium 2,3,4,5,6-pentamethylbenzoate
Formula: C36H45GaO6
MolecularWeight: 643.4619
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.[Ga+3]


Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.[Ga+3]


InChI

InChI=1S/3C12H16O2.Ga/c3*1-6-7(2)9(4)11(12(13)14)10(5)8(6)3;/h3*1-5H3,(H,13,14);/q;;;+3/p-3


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