aluminum (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate

Systemtic Name: aluminum (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Openeye Name: aluminum (E)-3-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-methyl-but-2-enoate CAS Name: aluminum (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-2-butenoate IUPAC Name: aluminum (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Traditional Name: aluminum (E)-3-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-2-methyl-but-2-enoate Formula: C36H51AlN6O9 MolecularWeight: 738.806478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C)C.CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C)C.CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C)C.[Al+3]

Isomeric SMILES

CC(C1(N=C(NC1=O)/C(=C(/C(=O)[O-])\C)/C)C)C.CC(C1(N=C(NC1=O)/C(=C(/C(=O)[O-])\C)/C)C)C.CC(C1(N=C(NC1=O)/C(=C(/C(=O)[O-])\C)/C)C)C.[Al+3]

InChI

InChI=1S/3C12H18N2O3.Al/c3*1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16;/h3*6H,1-5H3,(H,15,16)(H,13,14,17);/q;;;+3/p-3/b3*8-7+;