(E)-3-(2,3-dimethyl-4-undecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dimethyl-4-undecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethyl-4-undecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2,3-dimethyl-4-(undecylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethyl-4-undecylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2,3-dimethyl-4-(undecylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C28H38OS MolecularWeight: 422.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=C(C(=C(C=C1)C=CC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCCCCCCCCSC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C28H38OS/c1-4-5-6-7-8-9-10-11-15-22-30-28-21-19-25(23(2)24(28)3)18-20-27(29)26-16-13-12-14-17-26/h12-14,16-21H,4-11,15,22H2,1-3H3/b20-18+