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

Systemtic Name: (E)-3-(4-hexadecylsulfanyl-3-nitro-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-hexadecylsulfanyl-3-nitro-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(hexadecylthio)-3-nitrophenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-hexadecylsulfanyl-3-nitrophenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(cetylthio)-3-nitro-phenyl]-1-phenyl-prop-2-en-1-one Formula: C31H43NO3S MolecularWeight: 509.74302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-36-31-24-22-27(26-29(31)32(34)35)21-23-30(33)28-19-16-15-17-20-28/h15-17,19-24,26H,2-14,18,25H2,1H3/b23-21+