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

Systemtic Name: (E)-3-[3,5-di(tridecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3,5-di(tridecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-di(tridecoxy)phenyl]-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3,5-di(tridecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3,5-di(tridecoxy)phenyl]-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C44H70O3S MolecularWeight: 679.0898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCC

InChI

InChI=1S/C44H70O3S/c1-4-7-9-11-13-15-17-19-21-23-25-33-46-41-36-39(27-32-44(45)40-28-30-43(31-29-40)48-35-6-3)37-42(38-41)47-34-26-24-22-20-18-16-14-12-10-8-5-2/h27-32,36-38H,4-26,33-35H2,1-3H3/b32-27+