(E)-3-(3-decyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-decyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-decyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-decyl-4-(methylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-decyl-4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-decyl-4-(methylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C26H34OS MolecularWeight: 394.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C26H34OS/c1-3-4-5-6-7-8-9-11-16-24-21-22(18-20-26(24)28-2)17-19-25(27)23-14-12-10-13-15-23/h10,12-15,17-21H,3-9,11,16H2,1-2H3/b19-17+