aluminum (E)-octadec-9-enoate

Systemtic Name: aluminum (E)-octadec-9-enoate Openeye Name: aluminum (E)-octadec-9-enoate CAS Name: aluminum (E)-9-octadecenoate IUPAC Name: aluminum (E)-octadec-9-enoate Traditional Name: aluminum (E)-octadec-9-enoate Formula: C54H99AlO6 MolecularWeight: 871.341798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H34O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*10-9+;