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

Systemtic Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-3,4,5-tri(tetradecoxy)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4,5-tri(tetradecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-trimyristyloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C60H104O4S MolecularWeight: 921.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C60H104O4S/c1-5-9-12-15-18-21-24-27-30-33-36-42-49-62-58-53-55(47-48-57(61)56-45-40-39-41-46-56)54-59(63-50-43-37-34-31-28-25-22-19-16-13-10-6-2)60(58,65-52-8-4)64-51-44-38-35-32-29-26-23-20-17-14-11-7-3/h39-41,45-48,53-55H,5-38,42-44,49-52H2,1-4H3/b48-47+