2-cyclohexylsulfanyl-3,5-dinitro-benzoic acid

Systemtic Name: 2-cyclohexylsulfanyl-3,5-dinitro-benzoic acid Openeye Name: 2-cyclohexylsulfanyl-3,5-dinitro-benzoic acid CAS Name: 2-(cyclohexylthio)-3,5-dinitrobenzoic acid IUPAC Name: 2-cyclohexylsulfanyl-3,5-dinitrobenzoic acid Traditional Name: 2-(cyclohexylthio)-3,5-dinitro-benzoic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S/c16-13(17)10-6-8(14(18)19)7-11(15(20)21)12(10)22-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,16,17)