5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylcarbonyl]-2-(4-oxidanyl-4-oxidanylidene-butyl)benzoic acid

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylcarbonyl]-2-(4-oxidanyl-4-oxidanylidene-butyl)benzoic acid Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylcarbonyl]-2-(4-hydroxy-4-oxo-butyl)benzoic acid CAS Name: 5-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-oxomethyl]-2-(4-hydroxy-4-oxobutyl)benzoic acid IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylcarbonyl]-2-(4-hydroxy-4-oxobutyl)benzoic acid Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]carbonyl-2-(4-hydroxy-4-keto-butyl)benzoic acid Formula: C26H30O8S MolecularWeight: 502.5766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C2=CC(=C(C=C2)CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=O)C2=CC(=C(C=C2)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C26H30O8S/c1-3-6-20-22(12-11-19(16(2)27)24(20)30)34-13-5-14-35-26(33)18-10-9-17(7-4-8-23(28)29)21(15-18)25(31)32/h9-12,15,30H,3-8,13-14H2,1-2H3,(H,28,29)(H,31,32)