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

Systemtic Name: 9-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-iodo-5-methoxy-4-propargyloxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C27H29IO5 MolecularWeight: 560.42063

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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)OCC#C)OC)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29IO5/c1-7-8-32-25-16(28)9-15(10-19(25)31-6)22-23-17(29)11-26(2,3)13-20(23)33-21-14-27(4,5)12-18(30)24(21)22/h1,9-10,22H,8,11-14H2,2-6H3