3-[(3,5-ditert-butylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3,5-ditert-butylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3,5-ditert-butylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3,5-ditert-butylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3,5-ditert-butylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3,5-ditert-butylbenzyl)thio]propionic acid Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CSCCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CSCCC(=O)O)C(C)(C)C

InChI

InChI=1S/C18H28O2S/c1-17(2,3)14-9-13(12-21-8-7-16(19)20)10-15(11-14)18(4,5)6/h9-11H,7-8,12H2,1-6H3,(H,19,20)