aluminum (E)-4-[(E)-octadec-9-enyl]-3-oxidanylidene-docos-13-enoate

Systemtic Name: aluminum (E)-4-[(E)-octadec-9-enyl]-3-oxidanylidene-docos-13-enoate Openeye Name: aluminum (E)-4-[(E)-octadec-9-enyl]-3-oxo-docos-13-enoate CAS Name: aluminum (E)-4-[(E)-octadec-9-enyl]-3-oxo-13-docosenoate IUPAC Name: aluminum (E)-4-[(E)-octadec-9-enyl]-3-oxodocos-13-enoate Traditional Name: aluminum (E)-3-keto-4-[(E)-octadec-9-enyl]docos-13-enoate Formula: C120H219AlO9 MolecularWeight: 1832.998998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C40H74O3.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39(41)37-40(42)43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*17-20,38H,3-16,21-37H2,1-2H3,(H,42,43);/q;;;+3/p-3/b3*19-17+,20-18+;