9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C23H25IO3 MolecularWeight: 476.34727

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)I)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)I)C(=O)C1)C

InChI

InChI=1S/C23H25IO3/c1-22(2)9-15(25)20-17(11-22)27-18-12-23(3,4)10-16(26)21(18)19(20)13-5-7-14(24)8-6-13/h5-8,19H,9-12H2,1-4H3