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

Systemtic Name: (E)-3-[3,4-di(heptadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3,4-di(heptadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,4-di(heptadecoxy)phenyl]-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3,4-di(heptadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3,4-di(heptadecoxy)phenyl]-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C52H86O3S MolecularWeight: 791.30244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H86O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-54-51-42-36-47(35-41-50(53)48-37-39-49(40-38-48)56-45-6-3)46-52(51)55-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h35-42,46H,4-34,43-45H2,1-3H3/b41-35+