4-[2-bromanyl-6-phenyl-4-[[8-phenyl-3-(trifluoromethyl)octyl]carbamoyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-bromanyl-6-phenyl-4-[[8-phenyl-3-(trifluoromethyl)octyl]carbamoyl]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[2-bromo-6-phenyl-4-[[8-phenyl-3-(trifluoromethyl)octyl]carbamoyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-bromo-4-[oxo-[[8-phenyl-3-(trifluoromethyl)octyl]amino]methyl]-6-phenylphenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[2-bromo-6-phenyl-4-[[8-phenyl-3-(trifluoromethyl)octyl]carbamoyl]phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[2-bromo-6-phenyl-4-[[8-phenyl-3-(trifluoromethyl)octyl]carbamoyl]phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C35H33BrF3NO7S MolecularWeight: 748.60323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(CCNC(=O)C2=CC(=C(C(=C2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(CCNC(=O)C2=CC(=C(C(=C2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O)Br)C(F)(F)F

InChI

InChI=1S/C35H33BrF3NO7S/c36-30-21-25(33(42)40-19-18-26(35(37,38)39)15-9-2-6-12-23-10-4-1-5-11-23)20-29(24-13-7-3-8-14-24)32(30)47-48(45,46)27-16-17-28(34(43)44)31(41)22-27/h1,3-5,7-8,10-11,13-14,16-17,20-22,26,41H,2,6,9,12,15,18-19H2,(H,40,42)(H,43,44)