2-[(4-nitrophenyl)methylsulfanylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[(4-nitrophenyl)methylthio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-benzyl-3-[(4-nitrobenzyl)thio]propionic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-17(20)15(10-13-4-2-1-3-5-13)12-23-11-14-6-8-16(9-7-14)18(21)22/h1-9,15H,10-12H2,(H,19,20)