aluminum (2E,4E)-2,3-bis(2-methylpropyl)hexa-2,4-dienoate

Systemtic Name: aluminum (2E,4E)-2,3-bis(2-methylpropyl)hexa-2,4-dienoate Openeye Name: aluminum (2E,4E)-2,3-diisobutylhexa-2,4-dienoate CAS Name: aluminum (2E,4E)-2,3-bis(2-methylpropyl)hexa-2,4-dienoate IUPAC Name: aluminum (2E,4E)-2,3-bis(2-methylpropyl)hexa-2,4-dienoate Traditional Name: aluminum (2E,4E)-2,3-diisobutylhexa-2,4-dienoate Formula: C42H69AlO6 MolecularWeight: 696.975198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H24O2.Al/c3*1-6-7-12(8-10(2)3)13(14(15)16)9-11(4)5;/h3*6-7,10-11H,8-9H2,1-5H3,(H,15,16);/q;;;+3/p-3/b3*7-6+,13-12-;