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

Systemtic Name: 3-[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C17H15BrO6 MolecularWeight: 395.2014

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO6/c1-3-23-14-8-10(7-11(18)16(14)21)4-5-12(19)15-13(20)6-9(2)24-17(15)22/h4-8,15,21H,3H2,1-2H3/b5-4+