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

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-(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=C2Br)CCC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CCC(=O)O)Br)O

InChI

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