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2-nitro-5-sulfanyl-cyclohexane-1-carboxylic acid

2-nitro-5-sulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name:2-nitro-5-sulfanyl-cyclohexane-1-carboxylic acid
Openeye Name:2-nitro-5-sulfanyl-cyclohexanecarboxylic acid
CAS Name:5-mercapto-2-nitro-1-cyclohexanecarboxylic acid
IUPAC Name:2-nitro-5-sulfanylcyclohexane-1-carboxylic acid
Traditional Name:5-mercapto-2-nitro-cyclohexanecarboxylic acid
Formula: C7H11NO4S
MolecularWeight: 205.23154
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1S)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1CC(C(CC1S)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C7H11NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h4-6,13H,1-3H2,(H,9,10)


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