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

Systemtic Name: 9-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-ethoxy-5-iodo-4-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-ethoxy-5-iodo-4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-ethoxy-5-iodo-4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-ethoxy-5-iodo-4-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C22H23IO5 MolecularWeight: 494.31949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23IO5/c1-3-27-18-11-12(10-13(23)22(18)26-2)19-20-14(24)6-4-8-16(20)28-17-9-5-7-15(25)21(17)19/h10-11,19H,3-9H2,1-2H3