aluminum 2,3,6-trimethylphenolate

Systemtic Name: aluminum 2,3,6-trimethylphenolate Openeye Name: aluminum 2,3,6-trimethylphenolate CAS Name: aluminum 2,3,6-trimethylphenolate IUPAC Name: aluminum 2,3,6-trimethylphenolate Traditional Name: aluminum 2,3,6-trimethylphenolate Formula: C27H33AlO3 MolecularWeight: 432.530658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H12O.Al/c3*1-6-4-5-7(2)9(10)8(6)3;/h3*4-5,10H,1-3H3;/q;;;+3/p-3