(4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(S2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(S2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C18H21NO4S/c1-11-8-13(18(3,4)5)9-12(2)14(11)10-23-17(20)15-6-7-16(24-15)19(21)22/h6-9H,10H2,1-5H3