aluminum (E)-2-ethanoylicos-11-enoate phosphate

Systemtic Name: aluminum (E)-2-ethanoylicos-11-enoate phosphate Openeye Name: aluminum (E)-2-acetylicos-11-enoate phosphate CAS Name: aluminum (E)-2-acetyl-11-eicosenoate phosphate IUPAC Name: aluminum (E)-2-acetylicos-11-enoate phosphate Traditional Name: aluminum (E)-2-acetyleicos-11-enoate phosphate Formula: C22H39AlO7P- MolecularWeight: 473.496159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O3.Al.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)23)22(24)25;;1-5(2,3)4/h10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);;(H3,1,2,3,4)/q;+3;/p-4/b11-10+;;