thian-4-yl 3,5-dinitrobenzoate

Systemtic Name: thian-4-yl 3,5-dinitrobenzoate Openeye Name: tetrahydrothiopyran-4-yl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 4-thianyl ester IUPAC Name: thian-4-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid tetrahydrothiopyran-4-yl ester Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CSCCC1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6S/c15-12(20-11-1-3-21-4-2-11)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7,11H,1-4H2