2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butyl]sulfanyl-2-methyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxidanylidene-butyl]sulfanyl-2-methyl-phenoxy]propanoic acid Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxo-butyl]sulfanyl-2-methyl-phenoxy]propanoic acid CAS Name: 2-[4-[[4-(2,5-dimethylphenyl)-4-oxobutyl]thio]-2-methylphenoxy]propanoic acid IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)-4-oxobutyl]sulfanyl-2-methylphenoxy]propanoic acid Traditional Name: 2-[4-[[4-(2,5-dimethylphenyl)-4-keto-butyl]thio]-2-methyl-phenoxy]propionic acid Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCCSC2=CC(=C(C=C2)OC(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCCSC2=CC(=C(C=C2)OC(C)C(=O)O)C

InChI

InChI=1S/C22H26O4S/c1-14-7-8-15(2)19(12-14)20(23)6-5-11-27-18-9-10-21(16(3)13-18)26-17(4)22(24)25/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,24,25)