2-chloranyl-1-(3-nitrophenyl)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-chloranyl-1-(3-nitrophenyl)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-chloro-1-(3-nitrophenyl)-2-oxo-ethanesulfonic acid CAS Name: 2-chloro-1-(3-nitrophenyl)-2-oxoethanesulfonic acid IUPAC Name: 2-chloro-1-(3-nitrophenyl)-2-oxoethanesulfonic acid Traditional Name: 2-chloro-2-keto-1-(3-nitrophenyl)ethanesulfonic acid Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)Cl)S(=O)(=O)O

InChI

InChI=1S/C8H6ClNO6S/c9-8(11)7(17(14,15)16)5-2-1-3-6(4-5)10(12)13/h1-4,7H,(H,14,15,16)