di(propanoyloxy)alumanylium; (E)-2-ethanoylicos-11-enoate

Systemtic Name: di(propanoyloxy)alumanylium; (E)-2-ethanoylicos-11-enoate Openeye Name: (E)-2-acetylicos-11-enoate; di(propanoyloxy)alumanylium CAS Name: (E)-2-acetyl-11-eicosenoate; bis(1-oxopropoxy)alumanylium IUPAC Name: (E)-2-acetylicos-11-enoate; di(propanoyloxy)alumanylium Traditional Name: (E)-2-acetyleicos-11-enoate; dipropionyloxyalumanylium Formula: C28H49AlO7 MolecularWeight: 524.665998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)C)C(=O)[O-].CCC(=O)O[Al+]OC(=O)CC

InChI

InChI=1S/C22H40O3.2C3H6O2.Al/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)23)22(24)25;2*1-2-3(4)5;/h10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);2*2H2,1H3,(H,4,5);/q;;;+3/p-3/b11-10+;;;