[4-(1,3-dithiolan-2-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitrobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S2/c18-15(12-2-1-3-13(10-12)17(19)20)21-14-6-4-11(5-7-14)16-22-8-9-23-16/h1-7,10,16H,8-9H2