aluminum ethyl [(E)-octadec-9-enyl] phosphate

Systemtic Name: aluminum ethyl [(E)-octadec-9-enyl] phosphate Openeye Name: aluminum ethyl [(E)-octadec-9-enyl] phosphate CAS Name: aluminum ethyl [(E)-octadec-9-enyl] phosphate IUPAC Name: aluminum ethyl [(E)-octadec-9-enyl] phosphate Traditional Name: aluminum ethyl [(E)-octadec-9-enyl] phosphate Formula: C60H120AlO12P3 MolecularWeight: 1153.490421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H41O4P.Al/c3*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23-4-2;/h3*11-12H,3-10,13-20H2,1-2H3,(H,21,22);/q;;;+3/p-3/b3*12-11+;