sodium (3Z,6E)-4,5-bis(oxidanylidene)-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: sodium (3Z,6E)-4,5-bis(oxidanylidene)-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: sodium (3Z,6E)-4,5-dioxo-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: sodium (3Z,6E)-4,5-dioxo-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: sodium (3Z,6E)-4,5-dioxo-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: sodium (3Z,6E)-4,5-diketo-7-sulfo-3,6-bis[(2-sulfophenyl)hydrazono]naphthalene-2-sulfonate Formula: C22H15N4NaO14S4 MolecularWeight: 710.62267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=CC=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C\2/C(=CC3=C(C2=O)C(=O)/C(=N/NC4=CC=CC=C4S(=O)(=O)O)/C(=C3)S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H16N4O14S4.Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;/h1-10,23-24H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);/q;+1/p-1/b25-19-,26-20+;