disodium 4-methoxy-3-[(2Z)-2-[1-[(2-methoxy-5-sulfonato-phenyl)diazenyl]-2-oxidanylidene-2-phenylazanyl-ethylidene]hydrazinyl]benzenesulfonate

Systemtic Name: disodium 4-methoxy-3-[(2Z)-2-[1-[(2-methoxy-5-sulfonato-phenyl)diazenyl]-2-oxidanylidene-2-phenylazanyl-ethylidene]hydrazinyl]benzenesulfonate Openeye Name: disodium 3-[(2Z)-2-[2-anilino-1-(2-methoxy-5-sulfonato-phenyl)azo-2-oxo-ethylidene]hydrazino]-4-methoxy-benzenesulfonate CAS Name: disodium 3-[(2Z)-2-[2-anilino-1-(2-methoxy-5-sulfonatophenyl)azo-2-oxoethylidene]hydrazinyl]-4-methoxybenzenesulfonate IUPAC Name: disodium 3-[(2Z)-2-[2-anilino-1-[(2-methoxy-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxybenzenesulfonate Traditional Name: disodium 3-[(N'Z)-N'-[2-anilino-2-keto-1-(2-methoxy-5-sulfonato-phenyl)azo-ethylidene]hydrazino]-4-methoxy-besylate Formula: C22H19N5Na2O9S2 MolecularWeight: 607.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O9S2.2Na/c1-35-19-10-8-15(37(29,30)31)12-17(19)24-26-21(22(28)23-14-6-4-3-5-7-14)27-25-18-13-16(38(32,33)34)9-11-20(18)36-2;;/h3-13,24H,1-2H3,(H,23,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b26-21-,27-25?;;