2-methyl-2-[2-methyl-4-[3-oxidanylidene-3-(4-propylsulfanylphenyl)propyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[2-methyl-4-[3-oxidanylidene-3-(4-propylsulfanylphenyl)propyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[2-methyl-4-[3-oxo-3-(4-propylsulfanylphenyl)propyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[2-methyl-4-[3-oxo-3-[4-(propylthio)phenyl]propyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[2-methyl-4-[3-oxo-3-(4-propylsulfanylphenyl)propyl]phenoxy]propanoic acid Traditional Name: 2-[4-[3-keto-3-[4-(propylthio)phenyl]propyl]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C(=O)CCC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCCSC1=CC=C(C=C1)C(=O)CCC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C23H28O4S/c1-5-14-28-19-10-8-18(9-11-19)20(24)12-6-17-7-13-21(16(2)15-17)27-23(3,4)22(25)26/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,25,26)