2-[3,5-bis(bromanyl)-4-(3-cyclohexyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(3-cyclohexyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-hydroxyphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-hydroxyphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetic acid Formula: C20H20Br2O5S MolecularWeight: 532.2428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

Isomeric SMILES

C1CCC(CC1)C2=C(C=CC(=C2)S(=O)(=O)C3=C(C=C(C=C3Br)CC(=O)O)Br)O

InChI

InChI=1S/C20H20Br2O5S/c21-16-8-12(10-19(24)25)9-17(22)20(16)28(26,27)14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)