(E)-1-phenyl-3-(3,4,5-trihexadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-(3,4,5-trihexadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-trihexadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-trihexadecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-trihexadecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tricetyloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C66H116O4S MolecularWeight: 1005.68984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C66H116O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-48-55-68-64-59-61(53-54-63(67)62-51-46-45-47-52-62)60-65(69-56-49-43-40-37-34-31-28-25-22-19-16-13-10-6-2)66(64,71-58-8-4)70-57-50-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h45-47,51-54,59-61H,5-44,48-50,55-58H2,1-4H3/b54-53+