(E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-3,4,5-tri(tridecoxy)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,4,5-tri(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C57H98O4S MolecularWeight: 879.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C57H98O4S/c1-5-9-12-15-18-21-24-27-30-33-39-46-59-55-50-52(44-45-54(58)53-42-37-36-38-43-53)51-56(60-47-40-34-31-28-25-22-19-16-13-10-6-2)57(55,62-49-8-4)61-48-41-35-32-29-26-23-20-17-14-11-7-3/h36-38,42-45,50-52H,5-35,39-41,46-49H2,1-4H3/b45-44+