2-(tert-butylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 2-(tert-butylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-(tert-butylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[(tert-butylthio)methyl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-(tert-butylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[(tert-butylthio)methyl]-3-(4-methoxyphenyl)propionic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(CC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(CC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C15H22O3S/c1-15(2,3)19-10-12(14(16)17)9-11-5-7-13(18-4)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,16,17)