aluminum 2-ethanoyl-4-[(E)-octadec-9-enoxy]-4-propan-2-yloxy-butanoate

Systemtic Name: aluminum 2-ethanoyl-4-[(E)-octadec-9-enoxy]-4-propan-2-yloxy-butanoate Openeye Name: aluminum 2-acetyl-4-isopropoxy-4-[(E)-octadec-9-enoxy]butanoate CAS Name: aluminum 2-acetyl-4-[(E)-octadec-9-enoxy]-4-propan-2-yloxybutanoate IUPAC Name: aluminum 2-acetyl-4-[(E)-octadec-9-enoxy]-4-propan-2-yloxybutanoate Traditional Name: aluminum 2-acetyl-4-isopropoxy-4-[(E)-octadec-9-enoxy]butyrate Formula: C81H147AlO15 MolecularWeight: 1388.006418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C27H50O5.Al/c3*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(32-23(2)3)22-25(24(4)28)27(29)30;/h3*12-13,23,25-26H,5-11,14-22H2,1-4H3,(H,29,30);/q;;;+3/p-3/b3*13-12+;