disodium 4-chloranyl-3-[[4-[(4-oxidanidylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4-chloranyl-3-[[4-[(4-oxidanidylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-chloro-3-[4-(4-oxidophenyl)azophenyl]azo-benzenesulfonate CAS Name: disodium 4-chloro-3-[4-(4-oxidophenyl)azophenyl]azobenzenesulfonate IUPAC Name: disodium 4-chloro-3-[[4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-chloro-3-[4-(4-oxidophenyl)azophenyl]azo-besylate Formula: C18H11ClN4Na2O4S MolecularWeight: 460.80188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O4S.2Na/c19-17-10-9-16(28(25,26)27)11-18(17)23-22-13-3-1-12(2-4-13)20-21-14-5-7-15(24)8-6-14;;/h1-11,24H,(H,25,26,27);;/q;2*+1/p-2