6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-olate; piperidin-1-ium

Systemtic Name: 6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-olate; piperidin-1-ium Openeye Name: 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate; piperidin-1-ium CAS Name: 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate; piperidin-1-ium IUPAC Name: 6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-olate; piperidin-1-ium Traditional Name: 6-chloro-2-keto-4-nitro-1,3-benzoxathiol-5-olate; piperidin-1-ium Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=C2C(=C(C(=C1Cl)[O-])[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C1CC[NH2+]CC1.C1=C2C(=C(C(=C1Cl)[O-])[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C7H2ClNO5S.C5H11N/c8-2-1-3-6(15-7(11)14-3)4(5(2)10)9(12)13;1-2-4-6-5-3-1/h1,10H;6H,1-5H2