disodium 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylate

Systemtic Name: disodium 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylate Openeye Name: disodium 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]azo-pyrazole-3-carboxylate CAS Name: disodium 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfonatophenyl)azophenyl]azo-3-pyrazolecarboxylate IUPAC Name: disodium 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylate Traditional Name: disodium 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]azo-pyrazole-3-carboxylate Formula: C23H17N7Na2O6S MolecularWeight: 565.46892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CN(N=C3C(=O)[O-])C4=CC(=CC=C4)N.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CN(N=C3C(=O)[O-])C4=CC(=CC=C4)N.[Na+].[Na+]

InChI

InChI=1S/C23H19N7O6S.2Na/c1-36-21-12-16(26-25-15-5-3-7-18(11-15)37(33,34)35)8-9-19(21)27-28-20-13-30(29-22(20)23(31)32)17-6-2-4-14(24)10-17;;/h2-13H,24H2,1H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2