aluminum; (E)-4-butan-2-yloxy-4-oxidanyl-but-3-en-2-one; (E)-4-methoxy-4-oxidanyl-but-3-en-2-one

Systemtic Name: aluminum; (E)-4-butan-2-yloxy-4-oxidanyl-but-3-en-2-one; (E)-4-methoxy-4-oxidanyl-but-3-en-2-one Openeye Name: aluminum; (E)-4-hydroxy-4-methoxy-but-3-en-2-one; (E)-4-hydroxy-4-sec-butoxy-but-3-en-2-one CAS Name: aluminum; (E)-4-butan-2-yloxy-4-hydroxy-3-buten-2-one; (E)-4-hydroxy-4-methoxy-3-buten-2-one IUPAC Name: aluminum; (E)-4-butan-2-yloxy-4-hydroxybut-3-en-2-one; (E)-4-hydroxy-4-methoxybut-3-en-2-one Traditional Name: aluminum; (E)-4-hydroxy-4-methoxy-but-3-en-2-one; (E)-4-hydroxy-4-sec-butoxy-but-3-en-2-one Formula: C13H22AlO6+3 MolecularWeight: 301.291718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=CC(=O)C)O.CC(=O)C=C(O)OC.[Al+3]

Isomeric SMILES

CCC(C)O/C(=C/C(=O)C)/O.CC(=O)/C=C(\O)/OC.[Al+3]

InChI

InChI=1S/C8H14O3.C5H8O3.Al/c1-4-7(3)11-8(10)5-6(2)9;1-4(6)3-5(7)8-2;/h5,7,10H,4H2,1-3H3;3,7H,1-2H3;/q;;+3/b8-5+;5-3+;