3-tert-butyl-1-(2-tert-butyl-3,3-dimethyl-butyl)sulfanyl-4,4-dimethyl-pentan-2-one

Systemtic Name: 3-tert-butyl-1-(2-tert-butyl-3,3-dimethyl-butyl)sulfanyl-4,4-dimethyl-pentan-2-one Openeye Name: 3-tert-butyl-1-(2-tert-butyl-3,3-dimethyl-butyl)sulfanyl-4,4-dimethyl-pentan-2-one CAS Name: 3-tert-butyl-1-[(2-tert-butyl-3,3-dimethylbutyl)thio]-4,4-dimethyl-2-pentanone IUPAC Name: 3-tert-butyl-1-(2-tert-butyl-3,3-dimethylbutyl)sulfanyl-4,4-dimethylpentan-2-one Traditional Name: 3-tert-butyl-1-[(2-tert-butyl-3,3-dimethyl-butyl)thio]-4,4-dimethyl-pentan-2-one Formula: C21H42OS MolecularWeight: 342.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CSCC(=O)C(C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(CSCC(=O)C(C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H42OS/c1-18(2,3)16(19(4,5)6)14-23-13-15(22)17(20(7,8)9)21(10,11)12/h16-17H,13-14H2,1-12H3