disodium 5-nitro-2-[(2Z)-2-[(7Z)-7-[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-1,8-bis(oxidanylidene)-3,6-disulfo-naphthalen-2-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: disodium 5-nitro-2-[(2Z)-2-[(7Z)-7-[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-1,8-bis(oxidanylidene)-3,6-disulfo-naphthalen-2-ylidene]hydrazinyl]benzenesulfonate Openeye Name: disodium 5-nitro-2-[(2Z)-2-[(7Z)-7-[(4-nitro-2-sulfonato-phenyl)hydrazono]-1,8-dioxo-3,6-disulfo-2-naphthylidene]hydrazino]benzenesulfonate CAS Name: disodium 5-nitro-2-[(2Z)-2-[(7Z)-7-[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-1,8-dioxo-3,6-disulfo-2-naphthalenylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 5-nitro-2-[(2Z)-2-[(7Z)-7-[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-1,8-dioxo-3,6-disulfonaphthalen-2-ylidene]hydrazinyl]benzenesulfonate Traditional Name: disodium 2-[(N'Z)-N'-[(7Z)-1,8-diketo-7-[(4-nitro-2-sulfonato-phenyl)hydrazono]-3,6-disulfo-2-naphthylidene]hydrazino]-5-nitro-besylate Formula: C22H12N6Na2O18S4 MolecularWeight: 822.59962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])N/N=C\2/C(=O)C3=C(C=C(/C(=N\NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])/C3=O)S(=O)(=O)O)C=C2S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C22H14N6O18S4.2Na/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;/h1-8,23-24H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b25-19+,26-20+;;