(E,5S)-5-(5-iodanyl-2-oxidanyl-phenyl)-4,4-dimethyl-5-oxidanyl-pent-2-enoic acid

Systemtic Name: (E,5S)-5-(5-iodanyl-2-oxidanyl-phenyl)-4,4-dimethyl-5-oxidanyl-pent-2-enoic acid Openeye Name: (E,5S)-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)-4,4-dimethyl-pent-2-enoic acid CAS Name: (E,5S)-5-hydroxy-5-(2-hydroxy-5-iodophenyl)-4,4-dimethyl-2-pentenoic acid IUPAC Name: (E,5S)-5-hydroxy-5-(2-hydroxy-5-iodophenyl)-4,4-dimethylpent-2-enoic acid Traditional Name: (E,5S)-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)-4,4-dimethyl-pent-2-enoic acid Formula: C13H15IO4 MolecularWeight: 362.16027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(/C=C/C(=O)O)[C@@H](C1=C(C=CC(=C1)I)O)O

InChI

InChI=1S/C13H15IO4/c1-13(2,6-5-11(16)17)12(18)9-7-8(14)3-4-10(9)15/h3-7,12,15,18H,1-2H3,(H,16,17)/b6-5+/t12-/m1/s1