(E)-3-(3-butyl-4-tetradecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-butyl-4-tetradecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-butyl-4-tetradecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-butyl-4-(tetradecylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-butyl-4-tetradecylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-butyl-4-(myristylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C33H48OS MolecularWeight: 492.79862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCSC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)CCCC

InChI

InChI=1S/C33H48OS/c1-3-5-7-8-9-10-11-12-13-14-15-19-27-35-33-26-24-29(28-31(33)20-6-4-2)23-25-32(34)30-21-17-16-18-22-30/h16-18,21-26,28H,3-15,19-20,27H2,1-2H3/b25-23+