3-[3-methyl-1-(2-oxidanyl-3-propyl-phenyl)butan-2-yl]sulfanylpropane-1,2-diol

Systemtic Name: 3-[3-methyl-1-(2-oxidanyl-3-propyl-phenyl)butan-2-yl]sulfanylpropane-1,2-diol Openeye Name: 3-[1-[(2-hydroxy-3-propyl-phenyl)methyl]-2-methyl-propyl]sulfanylpropane-1,2-diol CAS Name: 3-[[1-(2-hydroxy-3-propylphenyl)-3-methylbutan-2-yl]thio]propane-1,2-diol IUPAC Name: 3-[1-(2-hydroxy-3-propylphenyl)-3-methylbutan-2-yl]sulfanylpropane-1,2-diol Traditional Name: 3-[[1-(2-hydroxy-3-propyl-benzyl)-2-methyl-propyl]thio]propane-1,2-diol Formula: C17H28O3S MolecularWeight: 312.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)CC(C(C)C)SCC(CO)O)O

Isomeric SMILES

CCCC1=C(C(=CC=C1)CC(C(C)C)SCC(CO)O)O

InChI

InChI=1S/C17H28O3S/c1-4-6-13-7-5-8-14(17(13)20)9-16(12(2)3)21-11-15(19)10-18/h5,7-8,12,15-16,18-20H,4,6,9-11H2,1-3H3