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

Systemtic Name: 9-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-ethoxy-5-iodo-4-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-ethoxy-5-iodo-4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-ethoxy-5-iodo-4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-ethoxy-5-iodo-4-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C26H31IO5 MolecularWeight: 550.42581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)I)OC

InChI

InChI=1S/C26H31IO5/c1-7-31-18-9-14(8-15(27)24(18)30-6)21-22-16(28)10-25(2,3)12-19(22)32-20-13-26(4,5)11-17(29)23(20)21/h8-9,21H,7,10-13H2,1-6H3