(2-butan-2-yl-4,6-dinitro-phenyl) 3,4-bis(chloranyl)-1,2-thiazole-5-carboxylate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) 3,4-bis(chloranyl)-1,2-thiazole-5-carboxylate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) 3,4-dichloroisothiazole-5-carboxylate CAS Name: 3,4-dichloro-5-isothiazolecarboxylic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) 3,4-dichloro-1,2-thiazole-5-carboxylate Traditional Name: 3,4-dichloroisothiazole-5-carboxylic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C14H11Cl2N3O6S MolecularWeight: 420.22464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)C2=C(C(=NS2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)C2=C(C(=NS2)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11Cl2N3O6S/c1-3-6(2)8-4-7(18(21)22)5-9(19(23)24)11(8)25-14(20)12-10(15)13(16)17-26-12/h4-6H,3H2,1-2H3