aluminum (2E)-7-methyl-3-(3-methylbutyl)-2-(2-methylpropyl)octa-2,6-dienoate

Systemtic Name: aluminum (2E)-7-methyl-3-(3-methylbutyl)-2-(2-methylpropyl)octa-2,6-dienoate Openeye Name: aluminum (2E)-2-isobutyl-3-isopentyl-7-methyl-octa-2,6-dienoate CAS Name: aluminum (2E)-7-methyl-3-(3-methylbutyl)-2-(2-methylpropyl)octa-2,6-dienoate IUPAC Name: aluminum (2E)-7-methyl-3-(3-methylbutyl)-2-(2-methylpropyl)octa-2,6-dienoate Traditional Name: aluminum (2E)-3-isoamyl-2-isobutyl-7-methyl-octa-2,6-dienoate Formula: C54H93AlO6 MolecularWeight: 865.294158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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