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

Systemtic Name: (E)-3-(2,3-diethyl-4-tridecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2,3-diethyl-4-tridecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2,3-diethyl-4-(tridecylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2,3-diethyl-4-tridecylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2,3-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)C=CC(=O)C2=CC=CC=C2)CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C32H46OS/c1-4-7-8-9-10-11-12-13-14-15-19-26-34-32-25-23-27(29(5-2)30(32)6-3)22-24-31(33)28-20-17-16-18-21-28/h16-18,20-25H,4-15,19,26H2,1-3H3/b24-22+