(E)-3-(4-butoxy-4-icosylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-butoxy-4-icosylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butoxy-4-icosylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-butoxy-4-(eicosylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butoxy-4-icosylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(arachylthio)-4-butoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C39H62O2S MolecularWeight: 594.97338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H62O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-35-42-39(41-34-6-4-2)32-30-36(31-33-39)28-29-38(40)37-26-23-22-24-27-37/h22-24,26-33,36H,3-21,25,34-35H2,1-2H3/b29-28+