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

Systemtic Name: 3-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 3-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 3-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 3-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 3-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C34H23BrO6S2 MolecularWeight: 671.57682

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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)OS(=O)(=O)C6=CC=CC(=C6O)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)OS(=O)(=O)C6=CC=CC(=C6O)C(=O)O)Br

InChI

InChI=1S/C34H23BrO6S2/c35-27-20-24(17-18-28(27)41-43(39,40)31-12-6-10-26(33(31)36)34(37)38)22-13-15-23(16-14-22)32-25-9-4-5-11-29(25)42-30(32)19-21-7-2-1-3-8-21/h1-18,20,36H,19H2,(H,37,38)