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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC=C2)C(=CCOC3=C(C=C(C=C3)CCC(=O)O)Br)C4=CC=C(C=C4)C5=CSC=C5

Isomeric SMILES

C1=CC(=CC=C1C2=CSC=C2)C(=CCOC3=C(C=C(C=C3)CCC(=O)O)Br)C4=CC=C(C=C4)C5=CSC=C5

InChI

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