bis(2-methylpropyl)-[(E)-octadec-9-enyl]-(3-oxidanylidenebutanoyl)alumanuide

Systemtic Name: bis(2-methylpropyl)-[(E)-octadec-9-enyl]-(3-oxidanylidenebutanoyl)alumanuide Openeye Name: diisobutyl-[(E)-octadec-9-enyl]-(3-oxobutanoyl)alumanuide CAS Name: 1,3-dioxobutyl-bis(2-methylpropyl)-[(E)-octadec-9-enyl]alumanuide IUPAC Name: bis(2-methylpropyl)-[(E)-octadec-9-enyl]-(3-oxobutanoyl)alumanuide Traditional Name: acetoacetyl-diisobutyl-[(E)-octadec-9-enyl]alumanuide Formula: C30H58AlO2- MolecularWeight: 477.761858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[Al-](CC(C)C)(CC(C)C)C(=O)CC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[Al-](CC(C)C)(CC(C)C)C(=O)CC(=O)C

InChI

InChI=1S/C18H35.C4H5O2.2C4H9.Al/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4(6)2-3-5;2*1-4(2)3;/h17-18H,1,3-16H2,2H3;2H2,1H3;2*4H,1H2,2-3H3;/q;;;;-1/b18-17+;;;;