aluminum 2,2,3,3,4-pentakis(oxidanyl)octadecanoate

Systemtic Name: aluminum 2,2,3,3,4-pentakis(oxidanyl)octadecanoate Openeye Name: aluminum 2,2,3,3,4-pentahydroxyoctadecanoate CAS Name: aluminum 2,2,3,3,4-pentahydroxyoctadecanoate IUPAC Name: aluminum 2,2,3,3,4-pentahydroxyoctadecanoate Traditional Name: aluminum 2,2,3,3,4-pentahydroxystearate Formula: C54H105AlO21 MolecularWeight: 1117.380438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O7.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19)17(22,23)18(24,25)16(20)21;/h3*15,19,22-25H,2-14H2,1H3,(H,20,21);/q;;;+3/p-3