3-[(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-(2-benzyloxy-5-bromo-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-(5-bromo-2-phenylmethoxyphenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-(5-bromo-2-phenylmethoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-(2-benzoxy-5-bromo-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C22H17BrO5 MolecularWeight: 441.27138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H17BrO5/c1-14-11-19(25)21(22(26)28-14)18(24)9-7-16-12-17(23)8-10-20(16)27-13-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3/b9-7+