(E)-3-[3,4-di(nonadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3,4-di(nonadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3,4-di(nonadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,4-di(nonadecoxy)phenyl]-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3,4-di(nonadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3,4-di(nonadecoxy)phenyl]-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C56H94O3S MolecularWeight: 847.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H94O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47-58-55-46-40-51(39-45-54(57)52-41-43-53(44-42-52)60-49-6-3)50-56(55)59-48-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h39-46,50H,4-38,47-49H2,1-3H3/b45-39+