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

Systemtic Name: 9-[(3-iodanyl-4-oxidanyl-phenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Openeye Name: 9-[(4-hydroxy-3-iodo-phenyl)methylene]-7,11-dioxaspiro[5.5]undecane-8,10-dione CAS Name: 9-[(4-hydroxy-3-iodophenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione IUPAC Name: 9-[(4-hydroxy-3-iodophenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Traditional Name: 9-(4-hydroxy-3-iodo-benzylidene)-7,11-dioxaspiro[5.5]undecane-8,10-quinone Formula: C16H15IO5 MolecularWeight: 414.19177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)O)I)C(=O)O2

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)O)I)C(=O)O2

InChI

InChI=1S/C16H15IO5/c17-12-9-10(4-5-13(12)18)8-11-14(19)21-16(22-15(11)20)6-2-1-3-7-16/h4-5,8-9,18H,1-3,6-7H2