trisodium 2-[[4-[[4-[[4-chloranyl-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-2,5-dimethyl-phenyl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: trisodium 2-[[4-[[4-[[4-chloranyl-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-2,5-dimethyl-phenyl]diazenyl]benzene-1,4-disulfonate Openeye Name: trisodium 2-[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonato-1-naphthyl]azo]-2,5-dimethyl-phenyl]azobenzene-1,4-disulfonate CAS Name: trisodium 2-[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonato-1-naphthalenyl]azo]-2,5-dimethylphenyl]azobenzene-1,4-disulfonate IUPAC Name: trisodium 2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate Traditional Name: trisodium 2-[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-s-triazin-2-yl]amino]-5-sulfonato-1-naphthyl]azo]-2,5-dimethyl-phenyl]azobenzene-1,4-disulfonate Formula: C31H26ClN8Na3O11S3 MolecularWeight: 887.20245

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC(=NC(=N1)NC2=C3C(=C(C=C2)N=NC4=C(C=C(C(=C4)C)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=C3S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

CCOCCOC1=NC(=NC(=N1)NC2=C3C(=C(C=C2)N=NC4=C(C=C(C(=C4)C)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=C3S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C31H29ClN8O11S3.3Na/c1-4-50-12-13-51-31-35-29(32)34-30(36-31)33-22-10-9-21(20-6-5-7-27(28(20)22)54(47,48)49)37-38-23-14-18(3)24(15-17(23)2)39-40-25-16-19(52(41,42)43)8-11-26(25)53(44,45)46;;;/h5-11,14-16H,4,12-13H2,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3