2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-hexanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-hexanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-hexanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]-3-methylhexanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methylhexanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]-3-methyl-hexanoic acid Formula: C21H34O2S MolecularWeight: 350.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O2S/c1-9-10-14(2)18(19(22)23)24-17-12-15(20(3,4)5)11-16(13-17)21(6,7)8/h11-14,18H,9-10H2,1-8H3,(H,22,23)