aluminum; (E)-2-ethanoylicos-11-enoate; propan-2-olate

Systemtic Name: aluminum; (E)-2-ethanoylicos-11-enoate; propan-2-olate Openeye Name: aluminum; (E)-2-acetylicos-11-enoate; propan-2-olate CAS Name: aluminum; (E)-2-acetyl-11-eicosenoate; 2-propanolate IUPAC Name: aluminum; (E)-2-acetylicos-11-enoate; propan-2-olate Traditional Name: aluminum; (E)-2-acetyleicos-11-enoate; propan-2-olate Formula: C28H53AlO5 MolecularWeight: 496.698958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)C)C(=O)[O-].CC(C)[O-].CC(C)[O-].[Al+3]

InChI

InChI=1S/C22H40O3.2C3H7O.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*1-3(2)4;/h10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);2*3H,1-2H3;/q;2*-1;+3/p-1/b11-10+;;;