2-[4-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-phenoxy]propanoic acid Openeye Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-phenoxy]propanoic acid CAS Name: 2-[4-[(4-tert-butylphenyl)methylthio]-3-methylphenoxy]propanoic acid IUPAC Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-3-methylphenoxy]propanoic acid Traditional Name: 2-[4-[(4-tert-butylbenzyl)thio]-3-methyl-phenoxy]propionic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26O3S/c1-14-12-18(24-15(2)20(22)23)10-11-19(14)25-13-16-6-8-17(9-7-16)21(3,4)5/h6-12,15H,13H2,1-5H3,(H,22,23)