3-(3-heptan-2-yl-2-methyl-phenyl)propane-1-thiol

Systemtic Name: 3-(3-heptan-2-yl-2-methyl-phenyl)propane-1-thiol Openeye Name: 3-[2-methyl-3-(1-methylhexyl)phenyl]propane-1-thiol CAS Name: 3-(3-heptan-2-yl-2-methylphenyl)-1-propanethiol IUPAC Name: 3-(3-heptan-2-yl-2-methylphenyl)propane-1-thiol Traditional Name: 3-[2-methyl-3-(1-methylhexyl)phenyl]propane-1-thiol Formula: C17H28S MolecularWeight: 264.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC(=C1C)CCCS

Isomeric SMILES

CCCCCC(C)C1=CC=CC(=C1C)CCCS

InChI

InChI=1S/C17H28S/c1-4-5-6-9-14(2)17-12-7-10-16(15(17)3)11-8-13-18/h7,10,12,14,18H,4-6,8-9,11,13H2,1-3H3