aluminum (E)-7-methoxy-3,7-dimethyl-2,4-bis(2-methylpropyl)oct-2-enoate

Systemtic Name: aluminum (E)-7-methoxy-3,7-dimethyl-2,4-bis(2-methylpropyl)oct-2-enoate Openeye Name: aluminum (E)-2,4-diisobutyl-7-methoxy-3,7-dimethyl-oct-2-enoate CAS Name: aluminum (E)-7-methoxy-3,7-dimethyl-2,4-bis(2-methylpropyl)-2-octenoate IUPAC Name: aluminum (E)-7-methoxy-3,7-dimethyl-2,4-bis(2-methylpropyl)oct-2-enoate Traditional Name: aluminum (E)-2,4-diisobutyl-7-methoxy-3,7-dimethyl-oct-2-enoate Formula: C57H105AlO9 MolecularWeight: 961.419738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H36O3.Al/c3*1-13(2)11-16(9-10-19(6,7)22-8)15(5)17(18(20)21)12-14(3)4;/h3*13-14,16H,9-12H2,1-8H3,(H,20,21);/q;;;+3/p-3/b3*17-15+;