tetrasodium 3-[[3-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-sulfonato-phenyl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: tetrasodium 3-[[3-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-sulfonato-phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: tetrasodium 3-[3-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-sulfonato-phenyl]azonaphthalene-1,5-disulfonate CAS Name: tetrasodium 3-[3-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-sulfonatophenyl]azonaphthalene-1,5-disulfonate IUPAC Name: tetrasodium 3-[[3-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-sulfonatophenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: tetrasodium 3-[3-[[4-chloro-6-(4-sulfonatoanilino)-s-triazin-2-yl]amino]-5-sulfonato-phenyl]azonaphthalene-1,5-disulfonate Formula: C25H14ClN7Na4O12S4 MolecularWeight: 860.09044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=NC3=CC(=CC(=C3)S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=NC3=CC(=CC(=C3)S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H18ClN7O12S4.4Na/c26-23-29-24(27-13-4-6-17(7-5-13)46(34,35)36)31-25(30-23)28-14-8-15(10-18(9-14)47(37,38)39)32-33-16-11-20-19(22(12-16)49(43,44)45)2-1-3-21(20)48(40,41)42;;;;/h1-12H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,27,28,29,30,31);;;;/q;4*+1/p-4