barium(2+); (E)-3-phenylprop-2-enoate

Systemtic Name: barium(2+); (E)-3-phenylprop-2-enoate Openeye Name: barium(2+); (E)-3-phenylprop-2-enoate CAS Name: barium(2+); (E)-3-phenyl-2-propenoate IUPAC Name: barium(2+); (E)-3-phenylprop-2-enoate Traditional Name: barium(2+); (E)-3-phenylacrylate Formula: C18H14BaO4 MolecularWeight: 431.62836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)[O-].C1=CC=C(C=C1)C=CC(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)[O-].[Ba+2]

InChI

InChI=1S/2C9H8O2.Ba/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2/b2*7-6+;