tetrasodium 4-[[5-methoxy-4-[[4-[[(6E)-6-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium 4-[[5-methoxy-4-[[4-[[(6E)-6-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: tetrasodium 4-[4-[[4-anilino-6-[[(6E)-6-[(2-methoxy-5-sulfonato-phenyl)hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: tetrasodium 4-[4-[[4-anilino-6-[[(6E)-6-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: tetrasodium 4-[[4-[[4-anilino-6-[[(6E)-6-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: tetrasodium 4-[4-[[4-anilino-6-[[(6E)-5-keto-6-[(2-methoxy-5-sulfonato-phenyl)hydrazono]-7-sulfonato-2-naphthyl]amino]-s-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonate Formula: C44H32N10Na4O16S4 MolecularWeight: 1177.00136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)NC5=CC6=C(C=C5)C(=O)C(=NNC7=C(C=CC(=C7)S(=O)(=O)[O-])OC)C(=C6)S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)NC5=CC6=C(C=C5)C(=O)/C(=N\NC7=C(C=CC(=C7)S(=O)(=O)[O-])OC)/C(=C6)S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,52,55H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4/b53-51?,54-40-;;;;