butyl 3-methylsulfinyl-2-oxidanyl-4-oxidanylidene-4-(2-oxidanyl-4-phenylmethoxy-phenyl)butanoate

Systemtic Name: butyl 3-methylsulfinyl-2-oxidanyl-4-oxidanylidene-4-(2-oxidanyl-4-phenylmethoxy-phenyl)butanoate Openeye Name: butyl 4-(4-benzyloxy-2-hydroxy-phenyl)-2-hydroxy-3-methylsulfinyl-4-oxo-butanoate CAS Name: 2-hydroxy-4-(2-hydroxy-4-phenylmethoxyphenyl)-3-methylsulfinyl-4-oxobutanoic acid butyl ester IUPAC Name: butyl 2-hydroxy-4-(2-hydroxy-4-phenylmethoxyphenyl)-3-methylsulfinyl-4-oxobutanoate Traditional Name: 4-(4-benzoxy-2-hydroxy-phenyl)-2-hydroxy-4-keto-3-methylsulfinyl-butyric acid butyl ester Formula: C22H26O7S MolecularWeight: 434.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(C(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)O)S(=O)C)O

Isomeric SMILES

CCCCOC(=O)C(C(C(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)O)S(=O)C)O

InChI

InChI=1S/C22H26O7S/c1-3-4-12-28-22(26)20(25)21(30(2)27)19(24)17-11-10-16(13-18(17)23)29-14-15-8-6-5-7-9-15/h5-11,13,20-21,23,25H,3-4,12,14H2,1-2H3