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

Systemtic Name: (E)-3-(4-ethoxy-4-nonadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxy-4-nonadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-ethoxy-4-(nonadecylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxy-4-nonadecylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-ethoxy-4-(nonadecylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C36H56O2S MolecularWeight: 552.89364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C36H56O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-39-36(38-4-2)30-28-33(29-31-36)26-27-35(37)34-24-21-20-22-25-34/h20-22,24-31,33H,3-19,23,32H2,1-2H3/b27-26+