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

Systemtic Name: 3-[(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-(3-bromo-4,5-diethoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-(3-bromo-4,5-diethoxyphenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-(3-bromo-4,5-diethoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-(3-bromo-4,5-diethoxy-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C19H19BrO6 MolecularWeight: 423.25456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2C(=O)C=C(OC2=O)C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2C(=O)C=C(OC2=O)C)Br)OCC

InChI

InChI=1S/C19H19BrO6/c1-4-24-16-10-12(9-13(20)18(16)25-5-2)6-7-14(21)17-15(22)8-11(3)26-19(17)23/h6-10,17H,4-5H2,1-3H3/b7-6+