aluminum 4-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]carbonyloxy-3,5-bis(2-methylheptan-2-yl)benzoate

Systemtic Name: aluminum 4-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]carbonyloxy-3,5-bis(2-methylheptan-2-yl)benzoate Openeye Name: aluminum 4-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoyl]oxy-3,5-bis(1,1-dimethylhexyl)benzoate CAS Name: aluminum 4-[[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]-oxomethoxy]-3,5-bis(2-methylheptan-2-yl)benzoate IUPAC Name: aluminum 4-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)benzoyl]oxy-3,5-bis(2-methylheptan-2-yl)benzoate Traditional Name: aluminum 4-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoyl]oxy-3,5-bis(1,1-dimethylhexyl)benzoate Formula: C138H219AlO15 MolecularWeight: 2145.187998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.[Al+3]

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2C(C)(C)CCCCC)C(=O)[O-])C(C)(C)CCCCC.[Al+3]

InChI

InChI=1S/3C46H74O5.Al/c3*1-13-17-21-25-43(5,6)35-31-34(32-36(39(35)47)44(7,8)26-22-18-14-2)42(50)51-40-37(45(9,10)27-23-19-15-3)29-33(41(48)49)30-38(40)46(11,12)28-24-20-16-4;/h3*29-32,47H,13-28H2,1-12H3,(H,48,49);/q;;;+3/p-3