aluminum 2-tridecoxycarbonylbenzoate

Systemtic Name: aluminum 2-tridecoxycarbonylbenzoate Openeye Name: aluminum 2-tridecoxycarbonylbenzoate CAS Name: aluminum 2-[oxo(tridecoxy)methyl]benzoate IUPAC Name: aluminum 2-tridecoxycarbonylbenzoate Traditional Name: aluminum 2-tridecoxycarbonylbenzoate Formula: C63H93AlO12 MolecularWeight: 1069.386858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/3C21H32O4.Al/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23;/h3*12-13,15-16H,2-11,14,17H2,1H3,(H,22,23);/q;;;+3/p-3