(E)-3-[5-nitro-2-(phenylmethylsulfanyl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-nitro-2-(phenylmethylsulfanyl)phenyl]prop-2-enoate Openeye Name: (E)-3-(2-benzylsulfanyl-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-[5-nitro-2-(phenylmethylthio)phenyl]-2-propenoate IUPAC Name: (E)-3-(2-benzylsulfanyl-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-5-nitro-phenyl]acrylate Formula: C16H12NO4S- MolecularWeight: 314.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C16H13NO4S/c18-16(19)9-6-13-10-14(17(20)21)7-8-15(13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)/p-1/b9-6+