tetrasodium (3E)-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3E)-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3E)-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (3E)-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3E)-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (3E)-4-keto-3-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]hydrazono]naphthalene-2,7-disulfonate Formula: C22H14N2Na4O16S5 MolecularWeight: 814.63444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H18N2O16S5.4Na/c25-21-16-4-3-15(42(28,29)30)10-13(16)11-19(43(31,32)33)20(21)24-23-18-6-1-12-9-14(2-5-17(12)22(18)44(34,35)36)41(26,27)8-7-40-45(37,38)39;;;;/h1-6,9-11,23H,7-8H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-20-;;;;