3-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-bromanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-bromanyl-phenyl]propanoic acid Openeye Name: 3-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-3-bromo-phenyl]propanoic acid CAS Name: 3-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-bromophenyl]propanoic acid IUPAC Name: 3-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]-3-bromophenyl]propanoic acid Traditional Name: 3-[4-[3,3-bis[4-(2-thienyl)phenyl]allyloxy]-3-bromo-phenyl]propionic acid Formula: C32H25BrO3S2 MolecularWeight: 601.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(C=C2)C(=CCOC3=C(C=C(C=C3)CCC(=O)O)Br)C4=CC=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(C=C2)C(=CCOC3=C(C=C(C=C3)CCC(=O)O)Br)C4=CC=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C32H25BrO3S2/c33-28-21-22(6-16-32(34)35)5-15-29(28)36-18-17-27(23-7-11-25(12-8-23)30-3-1-19-37-30)24-9-13-26(14-10-24)31-4-2-20-38-31/h1-5,7-15,17,19-21H,6,16,18H2,(H,34,35)