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

Systemtic Name: 2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]acetic acid Formula: C29H21BrO3S MolecularWeight: 529.44424

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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)OCC(=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)OCC(=O)O)Br

InChI

InChI=1S/C29H21BrO3S/c30-24-17-22(14-15-25(24)33-18-28(31)32)20-10-12-21(13-11-20)29-23-8-4-5-9-26(23)34-27(29)16-19-6-2-1-3-7-19/h1-15,17H,16,18H2,(H,31,32)