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

Systemtic Name: (E)-3-[4-butylsulfanyl-3,5-di(heptadecoxy)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-butylsulfanyl-3,5-di(heptadecoxy)phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-3,5-di(heptadecoxy)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-butylsulfanyl-3,5-di(heptadecoxy)phenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-3,5-di(heptadecoxy)phenyl]-1-phenyl-prop-2-en-1-one Formula: C53H88O3S MolecularWeight: 805.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC)OCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC)OCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C53H88O3S/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-37-43-55-51-46-48(41-42-50(54)49-39-35-34-36-40-49)47-52(53(51)57-45-9-6-3)56-44-38-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h34-36,39-42,46-47H,4-33,37-38,43-45H2,1-3H3/b42-41+