(E)-3-(4-acetyloxy-2-bromanyl-5-methoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-acetyloxy-2-bromanyl-5-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-acetoxy-2-bromo-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(4-acetyloxy-2-bromo-5-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-acetyloxy-2-bromo-5-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-acetoxy-2-bromo-5-methoxy-phenyl)acrylic acid Formula: C12H11BrO5 MolecularWeight: 315.11674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C(=C1)Br)C=CC(=O)O)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C(=C1)Br)/C=C/C(=O)O)OC

InChI

InChI=1S/C12H11BrO5/c1-7(14)18-11-6-9(13)8(3-4-12(15)16)5-10(11)17-2/h3-6H,1-2H3,(H,15,16)/b4-3+