(E,7R)-7-(5-iodanyl-2-oxidanyl-phenyl)-6,6-dimethyl-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,7R)-7-(5-iodanyl-2-oxidanyl-phenyl)-6,6-dimethyl-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,7R)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6,6-dimethyl-hept-2-enoic acid CAS Name: (E,7R)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6,6-dimethyl-2-heptenoic acid IUPAC Name: (E,7R)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6,6-dimethylhept-2-enoic acid Traditional Name: (E,7R)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6,6-dimethyl-hept-2-enoic acid Formula: C15H19IO4 MolecularWeight: 390.21343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19IO4/c1-15(2,8-4-3-5-13(18)19)14(20)11-9-10(16)6-7-12(11)17/h3,5-7,9,14,17,20H,4,8H2,1-2H3,(H,18,19)/b5-3+/t14-/m0/s1