aluminum (E)-2-methyl-2-oxidanyl-icos-11-enoate

Systemtic Name: aluminum (E)-2-methyl-2-oxidanyl-icos-11-enoate Openeye Name: aluminum (E)-2-hydroxy-2-methyl-icos-11-enoate CAS Name: aluminum (E)-2-hydroxy-2-methyl-11-eicosenoate IUPAC Name: aluminum (E)-2-hydroxy-2-methylicos-11-enoate Traditional Name: aluminum (E)-2-hydroxy-2-methyl-eicos-11-enoate Formula: C63H117AlO9 MolecularWeight: 1045.579218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H40O3.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,24)20(22)23;/h3*10-11,24H,3-9,12-19H2,1-2H3,(H,22,23);/q;;;+3/p-3/b3*11-10+;