aluminum; (E)-octadec-9-enoic acid; hydrate

Systemtic Name: aluminum; (E)-octadec-9-enoic acid; hydrate Openeye Name: aluminum; (E)-octadec-9-enoic acid; hydrate CAS Name: aluminum; (E)-9-octadecenoic acid; hydrate IUPAC Name: aluminum; (E)-octadec-9-enoic acid; hydrate Traditional Name: aluminum; elaidic acid; hydrate Formula: C36H70AlO5 MolecularWeight: 609.919538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.O.[Al]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.O.[Al]

InChI

InChI=1S/2C18H34O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);;1H2/b2*10-9+;;