4-[(4-tert-butylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(4-tert-butylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(4-tert-butylbenzyl)thio]benzoic acid Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20O2S/c1-18(2,3)15-8-4-13(5-9-15)12-21-16-10-6-14(7-11-16)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)