3-bromanyl-2-methyl-5-[(E)-3-(3-methylphenyl)prop-2-enoyl]-6-oxidanyl-pyran-4-one

Systemtic Name: 3-bromanyl-2-methyl-5-[(E)-3-(3-methylphenyl)prop-2-enoyl]-6-oxidanyl-pyran-4-one Openeye Name: 5-bromo-2-hydroxy-6-methyl-3-[(E)-3-(m-tolyl)prop-2-enoyl]pyran-4-one CAS Name: 5-bromo-2-hydroxy-6-methyl-3-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-4-pyranone IUPAC Name: 5-bromo-2-hydroxy-6-methyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyran-4-one Traditional Name: 5-bromo-2-hydroxy-6-methyl-3-[(E)-3-(m-tolyl)acryloyl]pyran-4-one Formula: C16H13BrO4 MolecularWeight: 349.17602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=C(OC(=C(C2=O)Br)C)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=C(OC(=C(C2=O)Br)C)O

InChI

InChI=1S/C16H13BrO4/c1-9-4-3-5-11(8-9)6-7-12(18)13-15(19)14(17)10(2)21-16(13)20/h3-8,20H,1-2H3/b7-6+