aluminum 2-methoxy-3,4-di(propan-2-yloxy)benzoate

Systemtic Name: aluminum 2-methoxy-3,4-di(propan-2-yloxy)benzoate Openeye Name: aluminum 3,4-diisopropoxy-2-methoxy-benzoate CAS Name: aluminum 2-methoxy-3,4-di(propan-2-yloxy)benzoate IUPAC Name: aluminum 2-methoxy-3,4-di(propan-2-yloxy)benzoate Traditional Name: aluminum 3,4-diisopropoxy-2-methoxy-benzoate Formula: C42H57AlO15 MolecularWeight: 828.874518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.[Al+3]

Isomeric SMILES

CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.CC(C)OC1=C(C(=C(C=C1)C(=O)[O-])OC)OC(C)C.[Al+3]

InChI

InChI=1S/3C14H20O5.Al/c3*1-8(2)18-11-7-6-10(14(15)16)12(17-5)13(11)19-9(3)4;/h3*6-9H,1-5H3,(H,15,16);/q;;;+3/p-3