aluminum 2-ethanoyl-18-methyl-nonadecanoate

Systemtic Name: aluminum 2-ethanoyl-18-methyl-nonadecanoate Openeye Name: aluminum 2-acetyl-18-methyl-nonadecanoate CAS Name: aluminum 2-acetyl-18-methylnonadecanoate IUPAC Name: aluminum 2-acetyl-18-methylnonadecanoate Traditional Name: aluminum 2-acetyl-18-methyl-nonadecanoate Formula: C66H123AlO9 MolecularWeight: 1087.658958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C22H42O3.Al/c3*1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(20(3)23)22(24)25;/h3*19,21H,4-18H2,1-3H3,(H,24,25);/q;;;+3/p-3