dimethyl 2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(4-nitrobenzyl)-2-phenyl-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(S1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(S1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H17NO6S2/c1-26-18(22)16-17(19(23)27-2)29-20(28-16,14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)21(24)25/h3-11H,12H2,1-2H3