(2-oxidanylidene-1,3-benzoxathiol-5-yl) 3,5-dinitrobenzoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 3,5-dinitrobenzoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C14H6N2O8S MolecularWeight: 362.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C1=CC2=C(C=C1OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C14H6N2O8S/c17-13(7-3-8(15(19)20)5-9(4-7)16(21)22)23-10-1-2-11-12(6-10)25-14(18)24-11/h1-6H