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

Systemtic Name: (E)-3-(4-butyl-4-ethylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butyl-4-ethylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-butyl-4-(ethylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butyl-4-ethylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-butyl-4-(ethylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C21H26OS MolecularWeight: 326.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCC

Isomeric SMILES

CCCCC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCC

InChI

InChI=1S/C21H26OS/c1-3-5-15-21(23-4-2)16-13-18(14-17-21)11-12-20(22)19-9-7-6-8-10-19/h6-14,16-18H,3-5,15H2,1-2H3/b12-11+