tetrasodium (4Z)-3-oxidanylidene-4-[[2-sulfonato-5-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (4Z)-3-oxidanylidene-4-[[2-sulfonato-5-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (4Z)-3-oxo-4-[[2-sulfonato-5-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (4Z)-3-oxo-4-[[2-sulfonato-5-(4-sulfonatophenyl)azophenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (4Z)-3-oxo-4-[[2-sulfonato-5-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (4Z)-3-keto-4-[[2-sulfonato-5-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C22H12N4Na4O13S4 MolecularWeight: 760.56876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)S(=O)(=O)[O-])N/N=C\3/C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-11-14(3-8-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,25H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23?,26-21-;;;;