2-[4-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[4-(4-tert-butylbenzyl)oxybenzyl]thio]-2-methyl-phenoxy]acetic acid Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(C)(C)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(C)(C)C)OCC(=O)O

InChI

InChI=1S/C27H30O4S/c1-19-15-24(13-14-25(19)31-17-26(28)29)32-18-21-7-11-23(12-8-21)30-16-20-5-9-22(10-6-20)27(2,3)4/h5-15H,16-18H2,1-4H3,(H,28,29)