(E)-7-[2,4-bis(chloranyl)-6-phenylmethoxy-phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[2,4-bis(chloranyl)-6-phenylmethoxy-phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-(2-benzyloxy-4,6-dichloro-phenyl)-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-(2-benzoxy-4,6-dichloro-phenyl)-5-hydroxy-3-keto-hept-6-enoic acid Formula: C20H18Cl2O5 MolecularWeight: 409.25992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2C=CC(CC(=O)CC(=O)O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2/C=C/C(CC(=O)CC(=O)O)O)Cl)Cl

InChI

InChI=1S/C20H18Cl2O5/c21-14-8-18(22)17(7-6-15(23)10-16(24)11-20(25)26)19(9-14)27-12-13-4-2-1-3-5-13/h1-9,15,23H,10-12H2,(H,25,26)/b7-6+