3,6-bis[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate

Systemtic Name: 3,6-bis[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate Openeye Name: 3,6-bis[(4-nitro-2-sulfonato-phenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonate CAS Name: 3,6-bis[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate IUPAC Name: 3,6-bis[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate Traditional Name: 4,5-diketo-3,6-bis[(4-nitro-2-sulfonato-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C22H10N6O18S4-4 MolecularWeight: 774.6042

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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-]

Isomeric 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-]

InChI

InChI=1S/C22H14N6O18S4/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)/p-4