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(2S)-2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioate

(2S)-2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioate

Systemtic Name:(2S)-2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioate
Openeye Name:(2S)-2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioate
CAS Name:(2S)-2-[(4-cyano-2-nitrophenyl)thio]butanedioate
IUPAC Name:(2S)-2-(4-cyano-2-nitrophenyl)sulfanylbutanedioate
Traditional Name:(2S)-2-[(4-cyano-2-nitro-phenyl)thio]succinate
Formula: C11H6N2O6S-2
MolecularWeight: 294.24014
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC(CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])S[C@@H](CC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C11H8N2O6S/c12-5-6-1-2-8(7(3-6)13(18)19)20-9(11(16)17)4-10(14)15/h1-3,9H,4H2,(H,14,15)(H,16,17)/p-2/t9-/m0/s1


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