3-methyl-1-(4-methylphenyl)sulfonyl-octan-3-ol

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfonyl-octan-3-ol Openeye Name: 3-methyl-1-(p-tolylsulfonyl)octan-3-ol CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-3-octanol IUPAC Name: 3-methyl-1-(4-methylphenyl)sulfonyloctan-3-ol Traditional Name: 3-methyl-1-tosyl-octan-3-ol Formula: C16H26O3S MolecularWeight: 298.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-4-5-6-11-16(3,17)12-13-20(18,19)15-9-7-14(2)8-10-15/h7-10,17H,4-6,11-13H2,1-3H3