2-(2,6-dimethylphenoxy)ethyl 5-nitrothiophene-2-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 5-nitrothiophene-2-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO5S/c1-10-4-3-5-11(2)14(10)20-8-9-21-15(17)12-6-7-13(22-12)16(18)19/h3-7H,8-9H2,1-2H3