4-[6-ethanoyl-3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylethoxy]-2-propyl-phenoxy]butanoic acid

Systemtic Name: 4-[6-ethanoyl-3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylethoxy]-2-propyl-phenoxy]butanoic acid Openeye Name: 4-[6-acetyl-3-[2-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylethoxy]-2-propyl-phenoxy]butanoic acid CAS Name: 4-[6-acetyl-3-[2-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]ethoxy]-2-propylphenoxy]butanoic acid IUPAC Name: 4-[6-acetyl-3-[2-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylethoxy]-2-propylphenoxy]butanoic acid Traditional Name: 4-[6-acetyl-3-[2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]ethoxy]-2-propyl-phenoxy]butyric acid Formula: C28H36O7S MolecularWeight: 516.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C28H36O7S/c1-5-8-22-24(13-11-21(19(4)30)28(22)35-15-7-10-26(31)32)34-16-17-36-25-14-12-20(18(3)29)27(33)23(25)9-6-2/h11-14,33H,5-10,15-17H2,1-4H3,(H,31,32)