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

Systemtic Name: (E)-3-[5-nitro-2-(phenylmethylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(2-benzylsulfanyl-5-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-[5-nitro-2-(phenylmethylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-benzylsulfanyl-5-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-(benzylthio)-5-nitro-phenyl]acrylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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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)/b9-6+