(E)-3-[3,5-di(nonoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-di(nonoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3,5-di(nonoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-di(nonoxy)phenyl]-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3,5-di(nonoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3,5-di(nonoxy)phenyl]-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C36H54O3S MolecularWeight: 566.87716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCC

InChI

InChI=1S/C36H54O3S/c1-4-7-9-11-13-15-17-25-38-33-28-31(29-34(30-33)39-26-18-16-14-12-10-8-5-2)19-24-36(37)32-20-22-35(23-21-32)40-27-6-3/h19-24,28-30H,4-18,25-27H2,1-3H3/b24-19+