4-(3,3-dimethylbutylsulfanyl)benzoic acid

Systemtic Name: 4-(3,3-dimethylbutylsulfanyl)benzoic acid Openeye Name: 4-(3,3-dimethylbutylsulfanyl)benzoic acid CAS Name: 4-(3,3-dimethylbutylthio)benzoic acid IUPAC Name: 4-(3,3-dimethylbutylsulfanyl)benzoic acid Traditional Name: 4-(3,3-dimethylbutylthio)benzoic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18O2S/c1-13(2,3)8-9-16-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)