(E)-3-(3-hexadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-hexadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-hexadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-hexadecoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-hexadecoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-cetyloxy-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C34H50O2S MolecularWeight: 522.8246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C34H50O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36-33-29-30(24-26-34(33)37-28-4-2)23-25-32(35)31-21-18-17-19-22-31/h17-19,21-26,29H,3-16,20,27-28H2,1-2H3/b25-23+