1-(3,5-ditert-butyl-4-sulfanyl-phenyl)-3,4-dimethyl-pentan-3-ol

Systemtic Name: 1-(3,5-ditert-butyl-4-sulfanyl-phenyl)-3,4-dimethyl-pentan-3-ol Openeye Name: 1-(3,5-ditert-butyl-4-sulfanyl-phenyl)-3,4-dimethyl-pentan-3-ol CAS Name: 1-(3,5-ditert-butyl-4-mercaptophenyl)-3,4-dimethyl-3-pentanol IUPAC Name: 1-(3,5-ditert-butyl-4-sulfanylphenyl)-3,4-dimethylpentan-3-ol Traditional Name: 1-(3,5-ditert-butyl-4-mercapto-phenyl)-3,4-dimethyl-pentan-3-ol Formula: C21H36OS MolecularWeight: 336.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CCC1=CC(=C(C(=C1)C(C)(C)C)S)C(C)(C)C)O

Isomeric SMILES

CC(C)C(C)(CCC1=CC(=C(C(=C1)C(C)(C)C)S)C(C)(C)C)O

InChI

InChI=1S/C21H36OS/c1-14(2)21(9,22)11-10-15-12-16(19(3,4)5)18(23)17(13-15)20(6,7)8/h12-14,22-23H,10-11H2,1-9H3