5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-(2-methyl-4-oxidanyl-4-oxidanylidene-butanoyl)benzoic acid

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-(2-methyl-4-oxidanyl-4-oxidanylidene-butanoyl)benzoic acid Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-(4-hydroxy-2-methyl-4-oxo-butanoyl)benzoic acid CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-(4-hydroxy-2-methyl-1,4-dioxobutyl)benzoic acid IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-(4-hydroxy-2-methyl-4-oxobutanoyl)benzoic acid Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-(4-hydroxy-4-keto-2-methyl-butanoyl)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)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)O)C(=O)O

InChI

InChI=1S/C26H30O8S/c1-4-6-20-22(10-9-18(16(3)27)25(20)31)34-11-5-12-35-17-7-8-19(21(14-17)26(32)33)24(30)15(2)13-23(28)29/h7-10,14-15,31H,4-6,11-13H2,1-3H3,(H,28,29)(H,32,33)