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

Systemtic Name: (E,4S,5S)-4-ethoxy-5-(5-iodanyl-2-oxidanyl-phenyl)-5-oxidanyl-pent-2-enoic acid Openeye Name: (E,4S,5S)-4-ethoxy-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)pent-2-enoic acid CAS Name: (E,4S,5S)-4-ethoxy-5-hydroxy-5-(2-hydroxy-5-iodophenyl)-2-pentenoic acid IUPAC Name: (E,4S,5S)-4-ethoxy-5-hydroxy-5-(2-hydroxy-5-iodophenyl)pent-2-enoic acid Traditional Name: (E,4S,5S)-4-ethoxy-5-hydroxy-5-(2-hydroxy-5-iodo-phenyl)pent-2-enoic acid Formula: C13H15IO5 MolecularWeight: 378.15967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15IO5/c1-2-19-11(5-6-12(16)17)13(18)9-7-8(14)3-4-10(9)15/h3-7,11,13,15,18H,2H2,1H3,(H,16,17)/b6-5+/t11-,13-/m0/s1