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2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioic acid

2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioic acid

Systemtic Name:2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioic acid
Openeye Name:2-(4-cyano-2-nitro-phenyl)sulfanylbutanedioic acid
CAS Name:2-[(4-cyano-2-nitrophenyl)thio]butanedioic acid
IUPAC Name:2-(4-cyano-2-nitrophenyl)sulfanylbutanedioic acid
Traditional Name:2-[(4-cyano-2-nitro-phenyl)thio]succinic acid
Formula: C11H8N2O6S
MolecularWeight: 296.25602
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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-])SC(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)


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