(1S,2R)-2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]cyclohexanecarboxylic acid Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCCCC1C(=O)O)SN=O

Isomeric SMILES

CC(C)(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)SN=O

InChI

InChI=1S/C12H20N2O4S/c1-12(2,19-14-18)7-13-10(15)8-5-3-4-6-9(8)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)/t8-,9+/m1/s1