4-[2-bromanyl-4-[4-(4,5-dimethylthiophen-3-yl)phenyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-bromanyl-4-[4-(4,5-dimethylthiophen-3-yl)phenyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[2-bromo-4-[4-(4,5-dimethyl-3-thienyl)phenyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-bromo-4-[4-(4,5-dimethyl-3-thiophenyl)phenyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[2-bromo-4-[4-(4,5-dimethylthiophen-3-yl)phenyl]phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[2-bromo-4-[4-(4,5-dimethyl-3-thienyl)phenyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C25H19BrO6S2 MolecularWeight: 559.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=CC=C(C=C2)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O)Br)C

Isomeric SMILES

CC1=C(SC=C1C2=CC=C(C=C2)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O)Br)C

InChI

InChI=1S/C25H19BrO6S2/c1-14-15(2)33-13-21(14)17-5-3-16(4-6-17)18-7-10-24(22(26)11-18)32-34(30,31)19-8-9-20(25(28)29)23(27)12-19/h3-13,27H,1-2H3,(H,28,29)