[2-(2-nitrooxybutyl)phenyl]carbonyl thiophene-2-carboperoxoate

Systemtic Name: [2-(2-nitrooxybutyl)phenyl]carbonyl thiophene-2-carboperoxoate Openeye Name: [2-(2-nitrooxybutyl)benzoyl] thiophene-2-carboperoxoate CAS Name: 2-thiophenecarboperoxoic acid [[2-(2-nitrooxybutyl)phenyl]-oxomethyl] ester IUPAC Name: [2-(2-nitrooxybutyl)benzoyl] thiophene-2-carboperoxoate Traditional Name: thiophene-2-carboperoxoic acid [2-(2-nitrooxybutyl)benzoyl] ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1C(=O)OOC(=O)C2=CC=CS2)O[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1C(=O)OOC(=O)C2=CC=CS2)O[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-2-12(22-17(20)21)10-11-6-3-4-7-13(11)15(18)23-24-16(19)14-8-5-9-25-14/h3-9,12H,2,10H2,1H3