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

Systemtic Name: (E)-1-phenyl-3-[3,4,5-tri(heptadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[3,4,5-tri(heptadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tri(heptadecoxy)-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[3,4,5-tri(heptadecoxy)-4-propylsulfanylcyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tri(heptadecoxy)-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C69H122O4S MolecularWeight: 1047.76958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCC)SCCC)OCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C69H122O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-51-58-71-67-62-64(56-57-66(70)65-54-49-48-50-55-65)63-68(72-59-52-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)69(67,74-61-8-4)73-60-53-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h48-50,54-57,62-64H,5-47,51-53,58-61H2,1-4H3/b57-56+