3,5-dinitro-2-propan-2-ylsulfanyl-benzoic acid

Systemtic Name: 3,5-dinitro-2-propan-2-ylsulfanyl-benzoic acid Openeye Name: 2-isopropylsulfanyl-3,5-dinitro-benzoic acid CAS Name: 3,5-dinitro-2-(propan-2-ylthio)benzoic acid IUPAC Name: 3,5-dinitro-2-propan-2-ylsulfanylbenzoic acid Traditional Name: 2-(isopropylthio)-3,5-dinitro-benzoic acid Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6S/c1-5(2)19-9-7(10(13)14)3-6(11(15)16)4-8(9)12(17)18/h3-5H,1-2H3,(H,13,14)