5-[(3-carboxy-4-nitro-cyclohexyl)disulfanyl]-2-nitro-cyclohexane-1-carboxylic acid

Systemtic Name: 5-[(3-carboxy-4-nitro-cyclohexyl)disulfanyl]-2-nitro-cyclohexane-1-carboxylic acid Openeye Name: 5-[(3-carboxy-4-nitro-cyclohexyl)disulfanyl]-2-nitro-cyclohexanecarboxylic acid CAS Name: 5-[(3-carboxy-4-nitrocyclohexyl)disulfanyl]-2-nitro-1-cyclohexanecarboxylic acid IUPAC Name: 5-[(3-carboxy-4-nitrocyclohexyl)disulfanyl]-2-nitrocyclohexane-1-carboxylic acid Traditional Name: 5-[(3-carboxy-4-nitro-cyclohexyl)disulfanyl]-2-nitro-cyclohexanecarboxylic acid Formula: C14H20N2O8S2 MolecularWeight: 408.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1SSC2CCC(C(C2)C(=O)O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(C(CC1SSC2CCC(C(C2)C(=O)O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h7-12H,1-6H2,(H,17,18)(H,19,20)