3-[6-(3-methylbutyl)-2-oxidanyl-3-phenyl-phenyl]sulfanylpropane-1,2-diol

Systemtic Name: 3-[6-(3-methylbutyl)-2-oxidanyl-3-phenyl-phenyl]sulfanylpropane-1,2-diol Openeye Name: 3-(2-hydroxy-6-isopentyl-3-phenyl-phenyl)sulfanylpropane-1,2-diol CAS Name: 3-[[2-hydroxy-6-(3-methylbutyl)-3-phenylphenyl]thio]propane-1,2-diol IUPAC Name: 3-[2-hydroxy-6-(3-methylbutyl)-3-phenylphenyl]sulfanylpropane-1,2-diol Traditional Name: 3-[(2-hydroxy-6-isoamyl-3-phenyl-phenyl)thio]propane-1,2-diol Formula: C20H26O3S MolecularWeight: 346.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=C(C=C1)C2=CC=CC=C2)O)SCC(CO)O

Isomeric SMILES

CC(C)CCC1=C(C(=C(C=C1)C2=CC=CC=C2)O)SCC(CO)O

InChI

InChI=1S/C20H26O3S/c1-14(2)8-9-16-10-11-18(15-6-4-3-5-7-15)19(23)20(16)24-13-17(22)12-21/h3-7,10-11,14,17,21-23H,8-9,12-13H2,1-2H3