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

Systemtic Name: (E)-3-(4-docosylsulfanyl-4-heptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-docosylsulfanyl-4-heptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(docosylthio)-4-heptoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-docosylsulfanyl-4-heptoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(behenylthio)-4-heptoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C44H72O2S MolecularWeight: 665.10628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCCCCCCC

InChI

InChI=1S/C44H72O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-40-47-44(46-39-29-24-8-6-4-2)37-35-41(36-38-44)33-34-43(45)42-31-27-26-28-32-42/h26-28,31-38,41H,3-25,29-30,39-40H2,1-2H3/b34-33+