(2-nitrophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (2-nitrophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-nitrobenzyl) ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4S2/c19-16(22-11-14-3-1-2-4-15(14)18(20)21)12-5-7-13(8-6-12)17-23-9-10-24-17/h1-8,17H,9-11H2