(E)-3-(4-docosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-docosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-docosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-docosoxyphenyl)-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-docosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-behenyloxyphenyl)-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C40H62O2S MolecularWeight: 606.98408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC

InChI

InChI=1S/C40H62O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34-42-38-29-24-36(25-30-38)26-33-40(41)37-27-31-39(32-28-37)43-35-4-2/h24-33H,3-23,34-35H2,1-2H3/b33-26+