9-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione

Systemtic Name: 9-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Openeye Name: 9-[(4-benzyloxy-3-bromo-phenyl)methylene]-7,11-dioxaspiro[5.5]undecane-8,10-dione CAS Name: 9-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione IUPAC Name: 9-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Traditional Name: 9-(4-benzoxy-3-bromo-benzylidene)-7,11-dioxaspiro[5.5]undecane-8,10-quinone Formula: C23H21BrO5 MolecularWeight: 457.31384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)C(=O)O2

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)Br)C(=O)O2

InChI

InChI=1S/C23H21BrO5/c24-19-14-17(9-10-20(19)27-15-16-7-3-1-4-8-16)13-18-21(25)28-23(29-22(18)26)11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2