(2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-chloro-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-chloro-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-nitro-benzothiophene-2-carboxylic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C16H6ClNO6S2 MolecularWeight: 407.80494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)OC3=CC4=C(C=C3)OC(=O)S4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)OC3=CC4=C(C=C3)OC(=O)S4

InChI

InChI=1S/C16H6ClNO6S2/c17-13-9-3-1-7(18(21)22)5-11(9)25-14(13)15(19)23-8-2-4-10-12(6-8)26-16(20)24-10/h1-6H