2-[(4-hydroxyphenyl)methylsulfanyl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-3,3-dimethyl-butanoic acid CAS Name: 2-[(4-hydroxyphenyl)methylthio]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-3,3-dimethylbutanoic acid Traditional Name: 2-[(4-hydroxybenzyl)thio]-3,3-dimethyl-butyric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)SCC1=CC=C(C=C1)O

Isomeric SMILES

CC(C)(C)C(C(=O)O)SCC1=CC=C(C=C1)O

InChI

InChI=1S/C13H18O3S/c1-13(2,3)11(12(15)16)17-8-9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3,(H,15,16)