(E)-3-(2,5-diethyl-4-tridecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(2,5-diethyl-4-tridecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2,5-diethyl-4-tridecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2,5-diethyl-4-(tridecylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2,5-diethyl-4-tridecylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2,5-diethyl-4-(tridecylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C32H46OS MolecularWeight: 478.77204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=C(C=C(C(=C1)CC)C=CC(=O)C2=CC=CC=C2)CC

Isomeric SMILES

CCCCCCCCCCCCCSC1=C(C=C(C(=C1)CC)/C=C/C(=O)C2=CC=CC=C2)CC

InChI

InChI=1S/C32H46OS/c1-4-7-8-9-10-11-12-13-14-15-19-24-34-32-26-27(5-2)30(25-28(32)6-3)22-23-31(33)29-20-17-16-18-21-29/h16-18,20-23,25-26H,4-15,19,24H2,1-3H3/b23-22+