aluminum 2,3,6-trimethylbenzoate

Systemtic Name: aluminum 2,3,6-trimethylbenzoate Openeye Name: aluminum 2,3,6-trimethylbenzoate CAS Name: aluminum 2,3,6-trimethylbenzoate IUPAC Name: aluminum 2,3,6-trimethylbenzoate Traditional Name: aluminum 2,3,6-trimethylbenzoate Formula: C30H33AlO6 MolecularWeight: 516.560958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H12O2.Al/c3*1-6-4-5-7(2)9(8(6)3)10(11)12;/h3*4-5H,1-3H3,(H,11,12);/q;;;+3/p-3