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

Systemtic Name: 3-[(E)-3-(5-bromanyl-2-propoxy-phenyl)prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-(5-bromo-2-propoxy-phenyl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-(5-bromo-2-propoxyphenyl)-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-(5-bromo-2-propoxyphenyl)prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(5-bromo-2-propoxy-phenyl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=CC(=O)C2=C(OC(=CC2=O)C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C/C(=O)C2=C(OC(=CC2=O)C)O

InChI

InChI=1S/C18H17BrO5/c1-3-8-23-16-7-5-13(19)10-12(16)4-6-14(20)17-15(21)9-11(2)24-18(17)22/h4-7,9-10,22H,3,8H2,1-2H3/b6-4+