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

Systemtic Name: (E)-3-(3,4-dioctadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-dioctadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-dioctadecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-dioctadecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,4-distearyloxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C54H92O3S MolecularWeight: 821.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C54H92O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-56-53-49-50(42-43-52(55)51-40-36-35-37-41-51)44-45-54(53,58-48-6-3)57-47-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h35-37,40-45,49-50H,4-34,38-39,46-48H2,1-3H3/b43-42+