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

Systemtic Name: disodium 4-[[3-methoxy-4-[(4-oxidanidylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-[3-methoxy-4-(4-oxidophenyl)azo-phenyl]azobenzenesulfonate CAS Name: disodium 4-[3-methoxy-4-(4-oxidophenyl)azophenyl]azobenzenesulfonate IUPAC Name: disodium 4-[[3-methoxy-4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-[3-methoxy-4-(4-oxidophenyl)azo-phenyl]azobesylate Formula: C19H14N4Na2O5S MolecularWeight: 456.3828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H16N4O5S.2Na/c1-28-19-12-15(22-20-14-4-9-17(10-5-14)29(25,26)27)6-11-18(19)23-21-13-2-7-16(24)8-3-13;;/h2-12,24H,1H3,(H,25,26,27);;/q;2*+1/p-2