3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[2-(3-nitrophenyl)-1,3-dithiolan-2-yl]propionic acid Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)(CCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)(CCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4S2/c14-11(15)4-5-12(18-6-7-19-12)9-2-1-3-10(8-9)13(16)17/h1-3,8H,4-7H2,(H,14,15)