diethyl 2-[bis[(4-nitrophenyl)methylsulfanyl]methylidene]propanedioate

Systemtic Name: diethyl 2-[bis[(4-nitrophenyl)methylsulfanyl]methylidene]propanedioate Openeye Name: diethyl 2-[bis[(4-nitrophenyl)methylsulfanyl]methylene]propanedioate CAS Name: 2-[bis[(4-nitrophenyl)methylthio]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[bis[(4-nitrophenyl)methylsulfanyl]methylidene]propanedioate Traditional Name: 2-[bis[(4-nitrobenzyl)thio]methylene]malonic acid diethyl ester Formula: C22H22N2O8S2 MolecularWeight: 506.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(SCC1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H22N2O8S2/c1-3-31-20(25)19(21(26)32-4-2)22(33-13-15-5-9-17(10-6-15)23(27)28)34-14-16-7-11-18(12-8-16)24(29)30/h5-12H,3-4,13-14H2,1-2H3