(E)-3-(4-docosylsulfanyl-3,5-diheptoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-docosylsulfanyl-3,5-diheptoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-docosylsulfanyl-3,5-diheptoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(docosylthio)-3,5-diheptoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-docosylsulfanyl-3,5-diheptoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(behenylthio)-3,5-diheptoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C51H84O3S MolecularWeight: 777.27586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCCCCC)C=CC(=O)C2=CC=CC=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1OCCCCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCCCCC

InChI

InChI=1S/C51H84O3S/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-36-43-55-51-49(53-41-34-28-11-8-5-2)44-46(39-40-48(52)47-37-32-31-33-38-47)45-50(51)54-42-35-29-12-9-6-3/h31-33,37-40,44-45H,4-30,34-36,41-43H2,1-3H3/b40-39+