5-bromanyl-2-oxidanyl-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-bromanyl-2-oxidanyl-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-2-hydroxy-3-[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-phenoxyphenyl)acryloyl]cyclohepta-2,4,6-trien-1-one Formula: C22H15BrO4 MolecularWeight: 423.2561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=CC(=O)C3=C(C(=O)C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/C(=O)C3=C(C(=O)C=CC(=C3)Br)O

InChI

InChI=1S/C22H15BrO4/c23-16-10-12-21(25)22(26)19(14-16)20(24)11-9-15-5-4-8-18(13-15)27-17-6-2-1-3-7-17/h1-14H,(H,25,26)/b11-9+