(E)-3-(4-hexadecylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-hexadecylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-hexadecylsulfanyl-3,5-dinitro-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(hexadecylthio)-3,5-dinitrophenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-hexadecylsulfanyl-3,5-dinitrophenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(cetylthio)-3,5-dinitro-phenyl]-1-phenyl-prop-2-en-1-one Formula: C31H42N2O5S MolecularWeight: 554.74058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1[N+](=O)[O-])C=CC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1[N+](=O)[O-])/C=C/C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C31H42N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-39-31-28(32(35)36)24-26(25-29(31)33(37)38)21-22-30(34)27-19-16-15-17-20-27/h15-17,19-22,24-25H,2-14,18,23H2,1H3/b22-21+