3-methyl-4-oxidanyl-4-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfonyl]phenyl]butanoic acid

Systemtic Name: 3-methyl-4-oxidanyl-4-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfonyl]phenyl]butanoic acid Openeye Name: 4-hydroxy-4-[4-[3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propylsulfonyl]phenyl]-3-methyl-butanoic acid CAS Name: 4-hydroxy-4-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylsulfonyl]phenyl]-3-methylbutanoic acid IUPAC Name: 4-hydroxy-4-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylsulfonyl]phenyl]-3-methylbutanoic acid Traditional Name: 4-hydroxy-4-[4-[3-[4-(3-keto-1-methylol-butyl)phenoxy]propylsulfonyl]phenyl]-3-methyl-butyric acid Formula: C25H32O8S MolecularWeight: 492.58178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=C(C=C2)C(CC(=O)C)CO)O

Isomeric SMILES

CC(CC(=O)O)C(C1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=C(C=C2)C(CC(=O)C)CO)O

InChI

InChI=1S/C25H32O8S/c1-17(14-24(28)29)25(30)20-6-10-23(11-7-20)34(31,32)13-3-12-33-22-8-4-19(5-9-22)21(16-26)15-18(2)27/h4-11,17,21,25-26,30H,3,12-16H2,1-2H3,(H,28,29)