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

Systemtic Name: 9-(3-bromanyl-5-ethoxy-4-propoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-5-ethoxy-4-propoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-5-ethoxy-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-5-ethoxy-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-5-ethoxy-4-propoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C28H35BrO5 MolecularWeight: 531.4785

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OCC

InChI

InChI=1S/C28H35BrO5/c1-7-9-33-26-17(29)10-16(11-20(26)32-8-2)23-24-18(30)12-27(3,4)14-21(24)34-22-15-28(5,6)13-19(31)25(22)23/h10-11,23H,7-9,12-15H2,1-6H3