2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]-3-phenyl-propionic acid Formula: C36H27BrO3S MolecularWeight: 619.56678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(CC6=CC=CC=C6)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(CC6=CC=CC=C6)C(=O)O)Br

InChI

InChI=1S/C36H27BrO3S/c37-30-23-28(19-20-31(30)40-32(36(38)39)21-24-9-3-1-4-10-24)26-15-17-27(18-16-26)35-29-13-7-8-14-33(29)41-34(35)22-25-11-5-2-6-12-25/h1-20,23,32H,21-22H2,(H,38,39)