(E)-3-(2-butoxy-4-icosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(2-butoxy-4-icosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2-butoxy-4-icosylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2-butoxy-4-(eicosylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2-butoxy-4-icosylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(arachylthio)-2-butoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C39H60O2S MolecularWeight: 592.9575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)C=CC(=O)C2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCCCC

InChI

InChI=1S/C39H60O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33-42-37-30-28-36(39(34-37)41-32-6-4-2)29-31-38(40)35-26-23-22-24-27-35/h22-24,26-31,34H,3-21,25,32-33H2,1-2H3/b31-29+