(E)-3-(4-henicosylsulfanyl-3-pentoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-henicosylsulfanyl-3-pentoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-henicosylsulfanyl-3-pentoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heneicosylthio)-3-pentoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-henicosylsulfanyl-3-pentoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-amoxy-4-(heneicosylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C41H64O2S MolecularWeight: 621.01066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)OCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCCCCC

InChI

InChI=1S/C41H64O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-35-44-41-33-31-37(36-40(41)43-34-26-6-4-2)30-32-39(42)38-28-24-23-25-29-38/h23-25,28-33,36H,3-22,26-27,34-35H2,1-2H3/b32-30+