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

Systemtic Name: 2-[3,5-bis(bromanyl)-2-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]acetic acid Formula: C17H16Br2O5S MolecularWeight: 492.17894

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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=C2CC(=O)O)Br)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CC(=O)O)Br)Br)O

InChI

InChI=1S/C17H16Br2O5S/c1-9(2)13-8-12(3-4-15(13)20)25(23,24)17-10(6-16(21)22)5-11(18)7-14(17)19/h3-5,7-9,20H,6H2,1-2H3,(H,21,22)