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

Systemtic Name: (E)-3-(2-bromanyl-4-butoxy-5-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-bromo-4-butoxy-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(2-bromo-4-butoxy-5-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(2-bromo-4-butoxy-5-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-bromo-4-butoxy-5-methoxy-phenyl)acrylic acid Formula: C14H17BrO4 MolecularWeight: 329.18638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C=CC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)/C=C/C(=O)O)OC

InChI

InChI=1S/C14H17BrO4/c1-3-4-7-19-13-9-11(15)10(5-6-14(16)17)8-12(13)18-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/b6-5+