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

Systemtic Name: (E)-3-[3,5-di(heptadecoxy)-4-propylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3,5-di(heptadecoxy)-4-propylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-di(heptadecoxy)-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3,5-di(heptadecoxy)-4-propylsulfanylphenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,5-di(heptadecoxy)-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C52H86O3S MolecularWeight: 791.30244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C52H86O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36-42-54-50-45-47(40-41-49(53)48-38-34-33-35-39-48)46-51(52(50)56-44-6-3)55-43-37-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h33-35,38-41,45-46H,4-32,36-37,42-44H2,1-3H3/b41-40+