dimethyl 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]propanedioate CAS Name: 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]propanedioate Traditional Name: 2-[(S)-1,3-dithiolan-2-yl-(4-nitrophenyl)methyl]malonic acid dimethyl ester Formula: C15H17NO6S2 MolecularWeight: 371.42858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1SCCS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C1SCCS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H17NO6S2/c1-21-13(17)12(14(18)22-2)11(15-23-7-8-24-15)9-3-5-10(6-4-9)16(19)20/h3-6,11-12,15H,7-8H2,1-2H3/t11-/m1/s1