bismuth (E)-4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoate

Systemtic Name: bismuth (E)-4-(6-methylheptoxy)-4-oxidanylidene-but-2-enoate Openeye Name: bismuth (E)-4-(6-methylheptoxy)-4-oxo-but-2-enoate CAS Name: bismuth (E)-4-(6-methylheptoxy)-4-oxo-2-butenoate IUPAC Name: bismuth (E)-4-(6-methylheptoxy)-4-oxobut-2-enoate Traditional Name: bismuth (E)-4-keto-4-(6-methylheptoxy)but-2-enoate Formula: C36H57BiO12 MolecularWeight: 890.81096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C=CC(=O)[O-].CC(C)CCCCCOC(=O)C=CC(=O)[O-].CC(C)CCCCCOC(=O)C=CC(=O)[O-].[Bi+3]

Isomeric SMILES

CC(CCCCCOC(=O)/C=C/C(=O)[O-])C.CC(CCCCCOC(=O)/C=C/C(=O)[O-])C.CC(CCCCCOC(=O)/C=C/C(=O)[O-])C.[Bi+3]

InChI

InChI=1S/3C12H20O4.Bi/c3*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);/q;;;+3/p-3/b3*8-7+;