2-[2-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)-1-oxidanyl-ethyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[2-(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)-1-oxidanyl-ethyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[2-(5-benzyloxy-2-bromo-4-methoxy-phenyl)-1-hydroxy-ethyl]-1,4-benzoquinone CAS Name: 2-[2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1-hydroxyethyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1-hydroxyethyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[2-(5-benzoxy-2-bromo-4-methoxy-phenyl)-1-hydroxy-ethyl]-p-benzoquinone Formula: C22H19BrO5 MolecularWeight: 443.28726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC(C2=CC(=O)C=CC2=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC(C2=CC(=O)C=CC2=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrO5/c1-27-21-12-18(23)15(9-20(26)17-11-16(24)7-8-19(17)25)10-22(21)28-13-14-5-3-2-4-6-14/h2-8,10-12,20,26H,9,13H2,1H3