(E)-3-[3-nitro-4-(phenylmethylsulfanyl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-nitro-4-(phenylmethylsulfanyl)phenyl]prop-2-enoate Openeye Name: (E)-3-(4-benzylsulfanyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-[3-nitro-4-(phenylmethylthio)phenyl]-2-propenoate IUPAC Name: (E)-3-(4-benzylsulfanyl-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-[4-(benzylthio)-3-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)C=CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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