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

Systemtic Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-3,4-di(tetradecoxy)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[3,4-dimyristyloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C46H76O3S MolecularWeight: 709.15884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C46H76O3S/c1-4-7-9-11-13-15-17-19-21-23-25-30-38-48-45-41-42(34-35-44(47)43-32-28-27-29-33-43)36-37-46(45,50-40-6-3)49-39-31-26-24-22-20-18-16-14-12-10-8-5-2/h27-29,32-37,41-42H,4-26,30-31,38-40H2,1-3H3/b35-34+