(2E)-2-[[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methylidene]hexanoic acid

Systemtic Name: (2E)-2-[[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methylidene]hexanoic acid Openeye Name: (2E)-2-[(4-hydroxy-3,5-diiodo-phenyl)methylene]hexanoic acid CAS Name: (2E)-2-[(4-hydroxy-3,5-diiodophenyl)methylidene]hexanoic acid IUPAC Name: (2E)-2-[(4-hydroxy-3,5-diiodophenyl)methylidene]hexanoic acid Traditional Name: (E)-2-butyl-3-(4-hydroxy-3,5-diiodo-phenyl)acrylic acid Formula: C13H14I2O3 MolecularWeight: 472.0574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=CC(=C(C(=C1)I)O)I)C(=O)O

Isomeric SMILES

CCCC/C(=C\C1=CC(=C(C(=C1)I)O)I)/C(=O)O

InChI

InChI=1S/C13H14I2O3/c1-2-3-4-9(13(17)18)5-8-6-10(14)12(16)11(15)7-8/h5-7,16H,2-4H2,1H3,(H,17,18)/b9-5+