7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[(6E)-6-[(5-ethenylsulfonyl-2,4-disulfo-phenyl)hydrazinylidene]-5-oxidanylidene-1,7-disulfo-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[(6E)-6-[(5-ethenylsulfonyl-2,4-disulfo-phenyl)hydrazinylidene]-5-oxidanylidene-1,7-disulfo-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-[4-[[4-chloro-6-[[(6E)-6-[(2,4-disulfo-5-vinylsulfonyl-phenyl)hydrazono]-5-oxo-1,7-disulfo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid CAS Name: 7-[2-(carbamoylamino)-4-[[4-chloro-6-[[(6E)-6-[(5-ethenylsulfonyl-2,4-disulfophenyl)hydrazinylidene]-5-oxo-1,7-disulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[[(6E)-6-[(5-ethenylsulfonyl-2,4-disulfophenyl)hydrazinylidene]-5-oxo-1,7-disulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-[4-[[4-chloro-6-[[(6E)-6-[(2,4-disulfo-5-vinylsulfonyl-phenyl)hydrazono]-5-keto-1,7-disulfo-2-naphthyl]amino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid Formula: C38H28ClN11O25S8 MolecularWeight: 1330.66062

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=C(C=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)C1=C(C=C(C(=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C38H28ClN11O25S8/c1-2-76(53,54)29-13-25(28(80(64,65)66)14-30(29)81(67,68)69)49-50-32-31(82(70,71)72)12-20-18(33(32)51)4-6-22(34(20)83(73,74)75)43-38-45-35(39)44-37(46-38)41-16-3-5-21(23(9-16)42-36(40)52)47-48-24-11-19-15(8-27(24)79(61,62)63)7-17(77(55,56)57)10-26(19)78(58,59)60/h2-14,49H,1H2,(H3,40,42,52)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H2,41,43,44,45,46)/b48-47?,50-32-