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

Systemtic Name: (E)-3-(3-icosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-icosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-eicosoxyphenyl)-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-icosoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-arachyloxyphenyl)-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C38H58O2S MolecularWeight: 578.93092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC

InChI

InChI=1S/C38H58O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-40-36-24-22-23-34(33-36)25-30-38(39)35-26-28-37(29-27-35)41-32-4-2/h22-30,33H,3-21,31-32H2,1-2H3/b30-25+