(E)-3-(4-butylsulfanyl-3-henicosoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-butylsulfanyl-3-henicosoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-3-henicosoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-3-heneicosoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-3-henicosoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-3-heneicosoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C40H62O2S MolecularWeight: 606.98408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SCCCC

InChI

InChI=1S/C40H62O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-33-42-39-35-36(30-32-40(39)43-34-6-4-2)29-31-38(41)37-27-24-23-25-28-37/h23-25,27-32,35H,3-22,26,33-34H2,1-2H3/b31-29+