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

Systemtic Name: (E)-3-(5-bromanyl-3-methoxy-2-propoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-3-methoxy-2-propoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(5-bromo-3-methoxy-2-propoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-3-methoxy-2-propoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-3-methoxy-2-propoxy-phenyl)acrylic acid Formula: C13H15BrO4 MolecularWeight: 315.1598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C=CC(=O)O)Br)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1/C=C/C(=O)O)Br)OC

InChI

InChI=1S/C13H15BrO4/c1-3-6-18-13-9(4-5-12(15)16)7-10(14)8-11(13)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)/b5-4+