tetrasodium (3Z)-5-benzamido-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3Z)-5-benzamido-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3Z)-5-benzamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2,7-disulfonate CAS Name: tetrasodium (3Z)-5-benzamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3Z)-5-benzamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: tetrasodium (3Z)-5-benzamido-4-keto-3-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]hydrazono]naphthalene-2,7-disulfonate Formula: C29H19N3Na4O17S5 MolecularWeight: 933.75514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48;;;;/h1-9,12-15,31H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-26+;;;;