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

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

Isomeric SMILES

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

InChI

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