calcium 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: calcium 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: calcium 2-chloro-5-nitro-benzenesulfonate CAS Name: calcium 2-chloro-5-nitrobenzenesulfonate IUPAC Name: calcium 2-chloro-5-nitrobenzenesulfonate Traditional Name: calcium 2-chloro-5-nitro-besylate Formula: C6H3CaClNO5S+ MolecularWeight: 276.68772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C6H4ClNO5S.Ca/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(H,11,12,13);/q;+2/p-1