di(propan-2-yloxy)alumanylium; [(E)-octadec-9-enyl] 3-oxidanylidenebutanoate

Systemtic Name: di(propan-2-yloxy)alumanylium; [(E)-octadec-9-enyl] 3-oxidanylidenebutanoate Openeye Name: diisopropoxyalumanylium; [(E)-octadec-9-enyl] 3-oxobutanoate CAS Name: di(propan-2-yloxy)alumanylium; 3-oxobutanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: di(propan-2-yloxy)alumanylium; [(E)-octadec-9-enyl] 3-oxobutanoate Traditional Name: diisopropoxyalumanylium; 3-ketobutyric acid [(E)-octadec-9-enyl] ester Formula: C28H54AlO5+ MolecularWeight: 497.706898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CC(=O)C.CC(C)O[Al+]OC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CC(=O)C.CC(C)O[Al+]OC(C)C

InChI

InChI=1S/C22H40O3.2C3H7O.Al/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23;2*1-3(2)4;/h10-11H,3-9,12-20H2,1-2H3;2*3H,1-2H3;/q;2*-1;+3/b11-10+;;;