4-[4-[3-(6-bromanyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(6-bromanyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-6-bromo-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-6-bromo-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-6-bromo-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-6-bromo-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-keto-butyric acid Formula: C24H27BrO8S MolecularWeight: 555.43538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)Br)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)Br)C(=O)C)O

InChI

InChI=1S/C24H27BrO8S/c1-3-5-18-23(30)19(15(2)26)14-20(25)24(18)33-12-4-13-34(31,32)17-8-6-16(7-9-17)21(27)10-11-22(28)29/h6-9,14,30H,3-5,10-13H2,1-2H3,(H,28,29)