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

Systemtic Name: 9-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-benzoxy-3-bromo-5-methoxy-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C31H33BrO5 MolecularWeight: 565.49472

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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)Br)OCC5=CC=CC=C5)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)C(=O)C1)C

InChI

InChI=1S/C31H33BrO5/c1-30(2)13-21(33)27-24(15-30)37-25-16-31(3,4)14-22(34)28(25)26(27)19-11-20(32)29(23(12-19)35-5)36-17-18-9-7-6-8-10-18/h6-12,26H,13-17H2,1-5H3