(E)-3-(4-henicosylsulfanyl-2-hexoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-henicosylsulfanyl-2-hexoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-henicosylsulfanyl-2-hexoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heneicosylthio)-2-hexoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-henicosylsulfanyl-2-hexoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(heneicosylthio)-2-hexoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C42H66O2S MolecularWeight: 635.03724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)C=CC(=O)C2=CC=CC=C2)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCCCCCC

InChI

InChI=1S/C42H66O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-36-45-40-33-31-39(42(37-40)44-35-27-8-6-4-2)32-34-41(43)38-29-25-24-26-30-38/h24-26,29-34,37H,3-23,27-28,35-36H2,1-2H3/b34-32+