(E)-3-(4-docosylsulfanyl-2-heptoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-docosylsulfanyl-2-heptoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-docosylsulfanyl-2-heptoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(docosylthio)-2-heptoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-docosylsulfanyl-2-heptoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(behenylthio)-2-heptoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C44H70O2S MolecularWeight: 663.0904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H70O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-38-47-42-35-33-41(34-36-43(45)40-31-27-26-28-32-40)44(39-42)46-37-29-24-8-6-4-2/h26-28,31-36,39H,3-25,29-30,37-38H2,1-2H3/b36-34+