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

Systemtic Name: (E)-3-(4-hexadecylsulfanyl-3-phenyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-hexadecylsulfanyl-3-phenyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(hexadecylthio)-3-phenylphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-hexadecylsulfanyl-3-phenylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(cetylthio)-3-phenyl-phenyl]-1-phenyl-prop-2-en-1-one Formula: C37H48OS MolecularWeight: 540.84142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C37H48OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-39-37-29-27-32(31-35(37)33-22-17-15-18-23-33)26-28-36(38)34-24-19-16-20-25-34/h15-20,22-29,31H,2-14,21,30H2,1H3/b28-26+