aluminum 2-[(Z)-octadec-9-enoyl]oxypropanoate

Systemtic Name: aluminum 2-[(Z)-octadec-9-enoyl]oxypropanoate Openeye Name: aluminum 2-[(Z)-octadec-9-enoyl]oxypropanoate CAS Name: aluminum 2-[(Z)-1-oxooctadec-9-enoxy]propanoate IUPAC Name: aluminum 2-[(Z)-octadec-9-enoyl]oxypropanoate Traditional Name: aluminum 2-[(Z)-octadec-9-enoyl]oxypropionate Formula: C63H111AlO12 MolecularWeight: 1087.529778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H38O4.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h3*10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;;;+3/p-3/b3*11-10-;