aluminum 2,3,4-tritert-butylphenolate

Systemtic Name: aluminum 2,3,4-tritert-butylphenolate Openeye Name: aluminum 2,3,4-tritert-butylphenolate CAS Name: aluminum 2,3,4-tritert-butylphenolate IUPAC Name: aluminum 2,3,4-tritert-butylphenolate Traditional Name: aluminum 2,3,4-tritert-butylphenolate Formula: C54H87AlO3 MolecularWeight: 811.248318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H30O.Al/c3*1-16(2,3)12-10-11-13(19)15(18(7,8)9)14(12)17(4,5)6;/h3*10-11,19H,1-9H3;/q;;;+3/p-3