(E)-3-(4-methylsulfanyl-4-nonyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanyl-4-nonyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanyl-4-nonyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)-4-nonyl-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanyl-4-nonylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)-4-nonyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C25H34OS MolecularWeight: 382.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C25H34OS/c1-3-4-5-6-7-8-12-19-25(27-2)20-17-22(18-21-25)15-16-24(26)23-13-10-9-11-14-23/h9-11,13-18,20-22H,3-8,12,19H2,1-2H3/b16-15+