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

Systemtic Name: aluminum 4-[(E)-octadec-9-enoxy]-4-propan-2-yloxy-butanoate Openeye Name: aluminum 4-isopropoxy-4-[(E)-octadec-9-enoxy]butanoate CAS Name: aluminum 4-[(E)-octadec-9-enoxy]-4-propan-2-yloxybutanoate IUPAC Name: aluminum 4-[(E)-octadec-9-enoxy]-4-propan-2-yloxybutanoate Traditional Name: aluminum 4-isopropoxy-4-[(E)-octadec-9-enoxy]butyrate Formula: C75H141AlO12 MolecularWeight: 1261.896378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C25H48O4.Al/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-25(29-23(2)3)21-20-24(26)27;/h3*11-12,23,25H,4-10,13-22H2,1-3H3,(H,26,27);/q;;;+3/p-3/b3*12-11+;