methyl 5-[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C17H15BrO7 MolecularWeight: 411.2008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=CC=C(O2)C(=O)OC)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=CC=C(O2)C(=O)OC)Br)O

InChI

InChI=1S/C17H15BrO7/c1-22-14-8-10(7-12(18)16(14)20)3-6-15(19)24-9-11-4-5-13(25-11)17(21)23-2/h3-8,20H,9H2,1-2H3/b6-3+