aluminum 2-[2-[(E)-octadec-9-enoyl]oxypropanoyloxy]propanoate

Systemtic Name: aluminum 2-[2-[(E)-octadec-9-enoyl]oxypropanoyloxy]propanoate Openeye Name: aluminum 2-[2-[(E)-octadec-9-enoyl]oxypropanoyloxy]propanoate CAS Name: aluminum 2-[1-oxo-2-[(E)-1-oxooctadec-9-enoxy]propoxy]propanoate IUPAC Name: aluminum 2-[2-[(E)-octadec-9-enoyl]oxypropanoyloxy]propanoate Traditional Name: aluminum 2-[2-[(E)-octadec-9-enoyl]oxypropanoyloxy]propionate Formula: C72H123AlO18 MolecularWeight: 1303.717758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C24H42O6.Al/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h3*11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);/q;;;+3/p-3/b3*12-11+;