9-(3-iodanyl-4,5-dimethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(3-iodanyl-4,5-dimethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-iodo-4,5-dimethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-iodo-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-iodo-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-iodo-4,5-dimethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H21IO5 MolecularWeight: 480.29291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)I)OC

InChI

InChI=1S/C21H21IO5/c1-25-17-10-11(9-12(22)21(17)26-2)18-19-13(23)5-3-7-15(19)27-16-8-4-6-14(24)20(16)18/h9-10,18H,3-8H2,1-2H3