O3-[4-(1,3-dithiolan-2-yl)phenyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[4-(1,3-dithiolan-2-yl)phenyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[4-(1,3-dithiolan-2-yl)phenyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(1,3-dithiolan-2-yl)phenyl] ester O1-ethyl ester IUPAC Name: 3-O-[4-(1,3-dithiolan-2-yl)phenyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(1,3-dithiolan-2-yl)phenyl] ester O1-ethyl ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO6S2/c1-2-25-17(21)13-9-14(11-15(10-13)20(23)24)18(22)26-16-5-3-12(4-6-16)19-27-7-8-28-19/h3-6,9-11,19H,2,7-8H2,1H3