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

Systemtic Name: tetrasodium (3Z)-5-benzamido-3-[[4-[(4-benzamido-2-sulfonato-phenyl)diazenyl]-2-ethoxy-6-sulfonato-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3Z)-5-benzamido-3-[[4-(4-benzamido-2-sulfonato-phenyl)azo-2-ethoxy-6-sulfonato-1-naphthyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: tetrasodium (3Z)-5-benzamido-3-[[4-(4-benzamido-2-sulfonatophenyl)azo-2-ethoxy-6-sulfonato-1-naphthalenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3Z)-5-benzamido-3-[[4-[(4-benzamido-2-sulfonatophenyl)diazenyl]-2-ethoxy-6-sulfonatonaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: tetrasodium (3Z)-5-benzamido-3-[[4-(4-benzamido-2-sulfonato-phenyl)azo-2-ethoxy-6-sulfonato-1-naphthyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C42H28N6Na4O16S4 MolecularWeight: 1092.9214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)NC(=O)C7=CC=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)NC(=O)C7=CC=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C42H32N6O16S4.4Na/c1-2-64-34-22-32(46-45-31-16-13-26(19-35(31)67(58,59)60)43-41(50)23-9-5-3-6-10-23)30-20-27(65(52,53)54)14-15-29(30)38(34)47-48-39-36(68(61,62)63)18-25-17-28(66(55,56)57)21-33(37(25)40(39)49)44-42(51)24-11-7-4-8-12-24;;;;/h3-22,47H,2H2,1H3,(H,43,50)(H,44,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4/b46-45?,48-39+;;;;