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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)I)O

InChI

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