(E)-3-(4-docosylsulfanyl-3,5-dihexoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-docosylsulfanyl-3,5-dihexoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-docosylsulfanyl-3,5-dihexoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(docosylthio)-3,5-dihexoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-docosylsulfanyl-3,5-dihexoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(behenylthio)-3,5-dihexoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C49H80O3S MolecularWeight: 749.2227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCCCC)C=CC(=O)C2=CC=CC=C2)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCCCC

InChI

InChI=1S/C49H80O3S/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34-41-53-49-47(51-39-32-11-8-5-2)42-44(43-48(49)52-40-33-12-9-6-3)37-38-46(50)45-35-30-29-31-36-45/h29-31,35-38,42-43H,4-28,32-34,39-41H2,1-3H3/b38-37+