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

Systemtic Name: 4-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]butanoic acid Openeye Name: 4-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]butanoic acid CAS Name: 4-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]butanoic acid Traditional Name: 4-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]butyric acid Formula: C31H25BrO3S MolecularWeight: 557.4974

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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)OCCCC(=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)OCCCC(=O)O)Br

InChI

InChI=1S/C31H25BrO3S/c32-26-20-24(16-17-27(26)35-18-6-11-30(33)34)22-12-14-23(15-13-22)31-25-9-4-5-10-28(25)36-29(31)19-21-7-2-1-3-8-21/h1-5,7-10,12-17,20H,6,11,18-19H2,(H,33,34)