tetrasodium (3Z,6Z)-4,5-bis(oxidanylidene)-3,6-bis[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3Z,6Z)-4,5-bis(oxidanylidene)-3,6-bis[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3Z,6Z)-4,5-dioxo-3,6-bis[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (3Z,6Z)-4,5-dioxo-3,6-bis[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3Z,6Z)-4,5-dioxo-3,6-bis[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (3Z,6Z)-4,5-diketo-3,6-bis[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C22H12N4Na4O14S4 MolecularWeight: 776.56816

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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+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C\2/C(=O)C3=C(C=C(/C(=N\NC4=CC=CC=C4S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H16N4O14S4.4Na/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;4*+1/p-4/b25-19+,26-20+;;;;