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

Systemtic Name: (E)-3-(4-octoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-octoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-octoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-octoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-octoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C26H36O2S MolecularWeight: 412.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C26H36O2S/c1-3-5-6-7-8-12-21-28-26(29-22-4-2)19-17-23(18-20-26)15-16-25(27)24-13-10-9-11-14-24/h9-11,13-20,23H,3-8,12,21-22H2,1-2H3/b16-15+