barium(2+); (Z)-4-(2-methylpropoxy)-4-oxidanylidene-but-2-enoate

Systemtic Name: barium(2+); (Z)-4-(2-methylpropoxy)-4-oxidanylidene-but-2-enoate Openeye Name: barium(2+); (Z)-4-isobutoxy-4-oxo-but-2-enoate CAS Name: barium(2+); (Z)-4-(2-methylpropoxy)-4-oxo-2-butenoate IUPAC Name: barium(2+); (Z)-4-(2-methylpropoxy)-4-oxobut-2-enoate Traditional Name: barium(2+); (Z)-4-isobutoxy-4-keto-but-2-enoate Formula: C16H22BaO8 MolecularWeight: 479.66808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C=CC(=O)[O-].CC(C)COC(=O)C=CC(=O)[O-].[Ba+2]

Isomeric SMILES

CC(COC(=O)/C=C\C(=O)[O-])C.CC(COC(=O)/C=C\C(=O)[O-])C.[Ba+2]

InChI

InChI=1S/2C8H12O4.Ba/c2*1-6(2)5-12-8(11)4-3-7(9)10;/h2*3-4,6H,5H2,1-2H3,(H,9,10);/q;;+2/p-2/b2*4-3-;