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

Systemtic Name: (E,4S,5R)-5-(5-iodanyl-2-oxidanyl-phenyl)-4-methyl-5-oxidanyl-pent-2-enoic acid Openeye Name: (E,4S,5R)-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)-4-methyl-pent-2-enoic acid CAS Name: (E,4S,5R)-5-hydroxy-5-(2-hydroxy-5-iodophenyl)-4-methyl-2-pentenoic acid IUPAC Name: (E,4S,5R)-5-hydroxy-5-(2-hydroxy-5-iodophenyl)-4-methylpent-2-enoic acid Traditional Name: (E,4S,5R)-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)-4-methyl-pent-2-enoic acid Formula: C12H13IO4 MolecularWeight: 348.13369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13IO4/c1-7(2-5-11(15)16)12(17)9-6-8(13)3-4-10(9)14/h2-7,12,14,17H,1H3,(H,15,16)/b5-2+/t7-,12+/m0/s1