2-[4-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]phenoxy]acetic acid Formula: C18H15BrO6 MolecularWeight: 407.2121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)OCC(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)Br)O

InChI

InChI=1S/C18H15BrO6/c1-24-16-9-11(8-14(19)18(16)23)2-7-15(20)12-3-5-13(6-4-12)25-10-17(21)22/h2-9,23H,10H2,1H3,(H,21,22)/b7-2+