3-[3,5-bis(bromanyl)-2-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-2-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]propionic acid Formula: C18H18Br2O5S MolecularWeight: 506.20552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CCC(=O)O)Br)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CCC(=O)O)Br)Br)O

InChI

InChI=1S/C18H18Br2O5S/c1-10(2)14-9-13(4-5-16(14)21)26(24,25)18-11(3-6-17(22)23)7-12(19)8-15(18)20/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)