4-methyl-4-phenylsulfanyl-1-sulfanyl-pentan-3-ol

Systemtic Name: 4-methyl-4-phenylsulfanyl-1-sulfanyl-pentan-3-ol Openeye Name: 4-methyl-4-phenylsulfanyl-1-sulfanyl-pentan-3-ol CAS Name: 1-mercapto-4-methyl-4-(phenylthio)-3-pentanol IUPAC Name: 4-methyl-4-phenylsulfanyl-1-sulfanylpentan-3-ol Traditional Name: 1-mercapto-4-methyl-4-(phenylthio)pentan-3-ol Formula: C12H18OS2 MolecularWeight: 242.40072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18OS2/c1-12(2,11(13)8-9-14)15-10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3