3,5-dinitro-2-propan-2-yl-benzenecarbothioic S-acid

Systemtic Name: 3,5-dinitro-2-propan-2-yl-benzenecarbothioic S-acid Openeye Name: 2-isopropyl-3,5-dinitro-benzenecarbothioic S-acid CAS Name: 3,5-dinitro-2-propan-2-ylbenzenecarbothioic S-acid IUPAC Name: 3,5-dinitro-2-propan-2-ylbenzenecarbothioic S-acid Traditional Name: 2-isopropyl-3,5-dinitro-thiobenzoic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1C(=O)S)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1C(=O)S)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c1-5(2)9-7(10(13)18)3-6(11(14)15)4-8(9)12(16)17/h3-5H,1-2H3,(H,13,18)