4-iodanyl-3-[(Z)-4-methoxy-4-oxidanylidene-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enoxy]benzoate

Systemtic Name: 4-iodanyl-3-[(Z)-4-methoxy-4-oxidanylidene-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enoxy]benzoate Openeye Name: 4-iodo-3-[(Z)-4-methoxy-4-oxo-2-(1,1,4,4-tetramethyltetralin-6-yl)but-2-enoxy]benzoate CAS Name: 4-iodo-3-[(Z)-4-methoxy-4-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enoxy]benzoate IUPAC Name: 4-iodo-3-[(Z)-4-methoxy-4-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-2-enoxy]benzoate Traditional Name: 4-iodo-3-[(Z)-4-keto-4-methoxy-2-(1,1,4,4-tetramethyltetralin-6-yl)but-2-enoxy]benzoate Formula: C26H28IO5- MolecularWeight: 547.40199

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=CC(=O)OC)COC3=C(C=CC(=C3)C(=O)[O-])I)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)/C(=C/C(=O)OC)/COC3=C(C=CC(=C3)C(=O)[O-])I)(C)C)C

InChI

InChI=1S/C26H29IO5/c1-25(2)10-11-26(3,4)20-12-16(6-8-19(20)25)18(14-23(28)31-5)15-32-22-13-17(24(29)30)7-9-21(22)27/h6-9,12-14H,10-11,15H2,1-5H3,(H,29,30)/p-1/b18-14+