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

Systemtic Name: (E)-3-(4-butyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-butyl-4-(methylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butyl-4-methylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-butyl-4-(methylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C20H24OS MolecularWeight: 312.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24OS/c1-3-4-14-20(22-2)15-12-17(13-16-20)10-11-19(21)18-8-6-5-7-9-18/h5-13,15-17H,3-4,14H2,1-2H3/b11-10+