2-(3,5-ditert-butylphenyl)sulfanylbutanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanylbutanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanylbutanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]butanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanylbutanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]butyric acid Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

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