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

Systemtic Name: 5-[4-[(E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]furan-2-carboxylate Openeye Name: 5-[4-[(E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenyl]furan-2-carboxylate CAS Name: 5-[4-[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]-2-furancarboxylate IUPAC Name: 5-[4-[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxylate Traditional Name: 5-[4-[(E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)acryloyl]phenyl]-2-furoate Formula: C21H14ClO6- MolecularWeight: 397.78526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)C3=CC=C(O3)C(=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=C(O3)C(=O)[O-])Cl)O

InChI

InChI=1S/C21H15ClO6/c1-27-19-11-12(10-15(22)20(19)24)2-7-16(23)13-3-5-14(6-4-13)17-8-9-18(28-17)21(25)26/h2-11,24H,1H3,(H,25,26)/p-1/b7-2+