calcium 4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate hexahydrate

Systemtic Name: calcium 4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate hexahydrate Openeye Name: calcium 4-[4-(4-sulfonatophenyl)azophenyl]azobenzenesulfonate hexahydrate CAS Name: calcium 4-[4-(4-sulfonatophenyl)azophenyl]azobenzenesulfonate hexahydrate IUPAC Name: calcium 4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate hexahydrate Traditional Name: calcium 4-[4-(4-sulfonatophenyl)azophenyl]azobesylate hexahydrate Formula: C18H24CaN4O12S2 MolecularWeight: 592.61076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].O.O.O.O.O.O.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].O.O.O.O.O.O.[Ca+2]

InChI

InChI=1S/C18H14N4O6S2.Ca.6H2O/c23-29(24,25)17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20-22-16-7-11-18(12-8-16)30(26,27)28;;;;;;;/h1-12H,(H,23,24,25)(H,26,27,28);;6*1H2/q;+2;;;;;;/p-2