tetrasodium 2-[[4-[[4-[(2E)-2-[7-[(4-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]-2,5-dimethoxy-phenyl]diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: tetrasodium 2-[[4-[[4-[(2E)-2-[7-[(4-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]-2,5-dimethoxy-phenyl]diazenyl]-6-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Openeye Name: tetrasodium 2-[[4-[4-[(2E)-2-[7-[(4-aminobenzoyl)amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]-2,5-dimethoxy-phenyl]azo-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate CAS Name: tetrasodium 2-[[4-[4-[(2E)-2-[7-[[(4-aminophenyl)-oxomethyl]amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]-2,5-dimethoxyphenyl]azo-6-sulfonato-1-naphthalenyl]azo]benzene-1,4-disulfonate IUPAC Name: tetrasodium 2-[[4-[[4-[(2E)-2-[7-[(4-aminobenzoyl)amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-2,5-dimethoxyphenyl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Traditional Name: tetrasodium 2-[[4-[4-[(N'E)-N'-[7-[(4-aminobenzoyl)amino]-1-keto-3-sulfonato-2-naphthylidene]hydrazino]-2,5-dimethoxy-phenyl]azo-6-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate Formula: C41H28N8Na4O16S4 MolecularWeight: 1108.9241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=C(C5=O)C=C(C=C6)NC(=O)C7=CC=C(C=C7)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N/N=C\5/C(=CC6=C(C5=O)C=C(C=C6)NC(=O)C7=CC=C(C=C7)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C41H32N8O16S4.4Na/c1-64-35-20-33(47-49-39-38(69(61,62)63)15-22-5-8-24(16-28(22)40(39)50)43-41(51)21-3-6-23(42)7-4-21)36(65-2)19-32(35)46-45-31-13-12-30(27-11-9-25(17-29(27)31)66(52,53)54)44-48-34-18-26(67(55,56)57)10-14-37(34)68(58,59)60;;;;/h3-20,47H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4/b46-45?,48-44?,49-39-;;;;