calcium 2,4-bis(azanyl)benzenesulfonate

Systemtic Name: calcium 2,4-bis(azanyl)benzenesulfonate Openeye Name: calcium 2,4-diaminobenzenesulfonate CAS Name: calcium 2,4-diaminobenzenesulfonate IUPAC Name: calcium 2,4-diaminobenzenesulfonate Traditional Name: calcium 2,4-diaminobesylate Formula: C12H14CaN4O6S2 MolecularWeight: 414.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C6H8N2O3S.Ca/c2*7-4-1-2-6(5(8)3-4)12(9,10)11;/h2*1-3H,7-8H2,(H,9,10,11);/q;;+2/p-2