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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-trioctadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-trioctadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-trioctadecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-trioctadecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,4,5-tristearyloxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C72H128O4S MolecularWeight: 1089.84932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C72H128O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-54-61-74-70-65-67(59-60-69(73)68-57-52-51-53-58-68)66-71(75-62-55-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)72(70,77-64-8-4)76-63-56-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h51-53,57-60,65-67H,5-50,54-56,61-64H2,1-4H3/b60-59+