bismuth (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: bismuth (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: bismuth (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: bismuth (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: bismuth (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: bismuth (E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C51H57BiO18 MolecularWeight: 1166.96786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)[O-])OC.CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)[O-])OC.CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)[O-])OC.[Bi+3]

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/CCC(=O)[O-])\C)OC.CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/CCC(=O)[O-])\C)OC.CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/CCC(=O)[O-])\C)OC.[Bi+3]

InChI

InChI=1S/3C17H20O6.Bi/c3*1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h3*4,20H,5-8H2,1-3H3,(H,18,19);/q;;;+3/p-3/b3*9-4+;