(6-nitro-1,3-benzodioxol-5-yl)methyl thiophene-2-carboxylate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl thiophene-2-carboxylate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C13H9NO6S MolecularWeight: 307.27866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO6S/c15-13(12-2-1-3-21-12)18-6-8-4-10-11(20-7-19-10)5-9(8)14(16)17/h1-5H,6-7H2