calcium 4-phenyldiazenylbenzenesulfonate

Systemtic Name: calcium 4-phenyldiazenylbenzenesulfonate Openeye Name: calcium 4-phenylazobenzenesulfonate CAS Name: calcium 4-phenyldiazenylbenzenesulfonate IUPAC Name: calcium 4-phenyldiazenylbenzenesulfonate Traditional Name: calcium 4-phenylazobesylate Formula: C24H18CaN4O6S2 MolecularWeight: 562.63092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H10N2O3S.Ca/c2*15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10;/h2*1-9H,(H,15,16,17);/q;;+2/p-2