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

Systemtic Name: (E)-3-(4-henicosoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-henicosoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-heneicosoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-henicosoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-heneicosoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C39H62O2S MolecularWeight: 594.97338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C39H62O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-41-39(42-35-4-2)32-30-36(31-33-39)28-29-38(40)37-26-23-22-24-27-37/h22-24,26-33,36H,3-21,25,34-35H2,1-2H3/b29-28+