(E)-3-[3-bromanyl-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]acrylic acid Formula: C18H17BrO3 MolecularWeight: 361.22978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)C=CC(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)/C=C/C(=O)O)Br

InChI

InChI=1S/C18H17BrO3/c19-16-13-15(9-11-18(20)21)8-10-17(16)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,20,21)/b11-9+