disodium (3Z,6Z)-3,6-bis[(4-bromanyl-2-sulfo-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z,6Z)-3,6-bis[(4-bromanyl-2-sulfo-phenyl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate Openeye Name: disodium (3Z,6Z)-3,6-bis[(4-bromo-2-sulfo-phenyl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z,6Z)-3,6-bis[(4-bromo-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z,6Z)-3,6-bis[(4-bromo-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z,6Z)-3,6-bis[(4-bromo-2-sulfo-phenyl)hydrazono]-4,5-diketo-naphthalene-2,7-disulfonate Formula: C22H12Br2N4Na2O14S4 MolecularWeight: 890.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)Br)S(=O)(=O)O)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Br)S(=O)(=O)O)N/N=C\2/C(=O)C3=C(C=C(/C(=N\NC4=C(C=C(C=C4)Br)S(=O)(=O)O)/C3=O)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H14Br2N4O14S4.2Na/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36;;/h1-8,25-26H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b27-19+,28-20+;;