oxidanylidenealumanyl (E)-2-(3-methylbutanoyl)-2-propan-2-yl-icos-11-enoate

Systemtic Name: oxidanylidenealumanyl (E)-2-(3-methylbutanoyl)-2-propan-2-yl-icos-11-enoate Openeye Name: oxoalumanyl (E)-2-isopropyl-2-(3-methylbutanoyl)icos-11-enoate CAS Name: (E)-2-(3-methyl-1-oxobutyl)-2-propan-2-yl-11-eicosenoic acid oxoalumanyl ester IUPAC Name: oxoalumanyl (E)-2-(3-methylbutanoyl)-2-propan-2-ylicos-11-enoate Traditional Name: (E)-2-isopropyl-2-isovaleryl-eicos-11-enoic acid ketoalumanyl ester Formula: C28H51AlO4 MolecularWeight: 478.683678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52O3.Al.O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(25(4)5,27(30)31)26(29)23-24(2)3;;/h13-14,24-25H,6-12,15-23H2,1-5H3,(H,30,31);;/q;+1;/p-1/b14-13+;;