2-[(1E,3E,12E)-tetradeca-1,3,12-trienyl]sulfanylphenol

Systemtic Name: 2-[(1E,3E,12E)-tetradeca-1,3,12-trienyl]sulfanylphenol Openeye Name: 2-[(1E,3E,12E)-tetradeca-1,3,12-trienyl]sulfanylphenol CAS Name: 2-[[(1E,3E,12E)-tetradeca-1,3,12-trienyl]thio]phenol IUPAC Name: 2-[(1E,3E,12E)-tetradeca-1,3,12-trienyl]sulfanylphenol Traditional Name: 2-[[(1E,3E,12E)-tetradeca-1,3,12-trienyl]thio]phenol Formula: C20H28OS MolecularWeight: 316.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCCCCCC=CC=CSC1=CC=CC=C1O

Isomeric SMILES

C/C=C/CCCCCCC/C=C/C=C/SC1=CC=CC=C1O

InChI

InChI=1S/C20H28OS/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h2-3,11-18,21H,4-10H2,1H3/b3-2+,12-11+,18-15+