4-[2-methoxy-4-[2-oxidanyl-3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propyl]sulfanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-methoxy-4-[2-oxidanyl-3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propyl]sulfanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-hydroxy-3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propyl]sulfanyl-2-methoxy-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-hydroxy-3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propyl]thio]-2-methoxyphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-hydroxy-3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propyl]sulfanyl-2-methoxyphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-hydroxy-3-[4-(3-keto-1-methylol-butyl)phenoxy]propyl]thio]-2-methoxy-phenyl]-4-keto-butyric acid Formula: C25H30O8S MolecularWeight: 490.5659

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CO)C1=CC=C(C=C1)OCC(CSC2=CC(=C(C=C2)C(=O)CCC(=O)O)OC)O

Isomeric SMILES

CC(=O)CC(CO)C1=CC=C(C=C1)OCC(CSC2=CC(=C(C=C2)C(=O)CCC(=O)O)OC)O

InChI

InChI=1S/C25H30O8S/c1-16(27)11-18(13-26)17-3-5-20(6-4-17)33-14-19(28)15-34-21-7-8-22(24(12-21)32-2)23(29)9-10-25(30)31/h3-8,12,18-19,26,28H,9-11,13-15H2,1-2H3,(H,30,31)