(E)-3-(3,5-dibutoxy-4-henicosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dibutoxy-4-henicosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-dibutoxy-4-henicosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-dibutoxy-4-(heneicosylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,5-dibutoxy-4-henicosylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,5-dibutoxy-4-(heneicosylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C44H70O3S MolecularWeight: 679.0898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCC)C=CC(=O)C2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCC

InChI

InChI=1S/C44H70O3S/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-36-48-44-42(46-34-8-5-2)37-39(38-43(44)47-35-9-6-3)32-33-41(45)40-30-27-26-28-31-40/h26-28,30-33,37-38H,4-25,29,34-36H2,1-3H3/b33-32+