aluminum (2E)-3,7-dimethyl-2,4-bis(2-methylpropyl)octa-2,6-dienoate

Systemtic Name: aluminum (2E)-3,7-dimethyl-2,4-bis(2-methylpropyl)octa-2,6-dienoate Openeye Name: aluminum (2E)-2,4-diisobutyl-3,7-dimethyl-octa-2,6-dienoate CAS Name: aluminum (2E)-3,7-dimethyl-2,4-bis(2-methylpropyl)octa-2,6-dienoate IUPAC Name: aluminum (2E)-3,7-dimethyl-2,4-bis(2-methylpropyl)octa-2,6-dienoate Traditional Name: aluminum (2E)-2,4-diisobutyl-3,7-dimethyl-octa-2,6-dienoate Formula: C54H93AlO6 MolecularWeight: 865.294158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H32O2.Al/c3*1-12(2)8-9-16(10-13(3)4)15(7)17(18(19)20)11-14(5)6;/h3*8,13-14,16H,9-11H2,1-7H3,(H,19,20);/q;;;+3/p-3/b3*17-15+;