2-[[4-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-6-[[4-[(E)-2-[4-[[4-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-6-[[1-oxidanidyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]butanedioate

Systemtic Name: 2-[[4-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-6-[[4-[(E)-2-[4-[[4-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-6-[[1-oxidanidyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]butanedioate Openeye Name: 2-[[4-[(1-carboxylato-3-oxido-3-oxo-propyl)amino]-6-[4-[(E)-2-[4-[[4-[(1-carboxylato-3-oxido-3-oxo-propyl)amino]-6-[(1-carboxylato-3-oxo-propyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]butanedioate CAS Name: 2-[[4-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-6-[4-[(E)-2-[4-[[4-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-6-[(1-oxido-1,4-dioxobutan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]butanedioate IUPAC Name: 2-[[4-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-6-[4-[(E)-2-[4-[[4-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-6-[(1-oxido-1,4-dioxobutan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]butanedioate Traditional Name: 2-[[4-[(1-carboxylato-3-keto-3-oxido-propyl)amino]-6-[4-[(E)-2-[4-[[4-[(1-carboxylato-3-keto-3-oxido-propyl)amino]-6-[(1-carboxylato-3-keto-propyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-s-triazin-2-yl]amino]succinate Formula: C36H27N12O21S2-9 MolecularWeight: 1027.79738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NC(CC(=O)[O-])C(=O)[O-])NC(CC=O)C(=O)[O-])S(=O)(=O)[O-])C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC(CC(=O)[O-])C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NC(CC(=O)[O-])C(=O)[O-])NC(CC=O)C(=O)[O-])S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC(CC(=O)[O-])C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C36H36N12O21S2/c49-8-7-18(27(56)57)39-33-43-31(44-34(47-33)40-19(28(58)59)11-24(50)51)37-16-5-3-14(22(9-16)70(64,65)66)1-2-15-4-6-17(10-23(15)71(67,68)69)38-32-45-35(41-20(29(60)61)12-25(52)53)48-36(46-32)42-21(30(62)63)13-26(54)55/h1-6,8-10,18-21H,7,11-13H2,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65,66)(H,67,68,69)(H3,37,39,40,43,44,47)(H3,38,41,42,45,46,48)/p-9/b2-1+