octasodium 2-[[4-[[4-[(E)-2-[4-[[4-[(2,5-disulfonatophenyl)amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate

Systemtic Name: octasodium 2-[[4-[[4-[(E)-2-[4-[[4-[(2,5-disulfonatophenyl)amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate Openeye Name: octasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate CAS Name: octasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate IUPAC Name: octasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate Traditional Name: octasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-[methyl(2-sulfonatoethyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-6-[methyl(2-sulfonatoethyl)amino]-s-triazin-2-yl]amino]benzene-1,4-disulfonate Formula: C38H32N12Na8O24S8 MolecularWeight: 1481.16484

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)[O-])C1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(C)CCS(=O)(=O)[O-])NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CN(CCS(=O)(=O)[O-])C1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(C)CCS(=O)(=O)[O-])NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C38H40N12O24S8.8Na/c1-49(13-15-75(51,52)53)37-45-33(43-35(47-37)41-27-19-25(77(57,58)59)9-11-29(27)79(63,64)65)39-23-7-5-21(31(17-23)81(69,70)71)3-4-22-6-8-24(18-32(22)82(72,73)74)40-34-44-36(48-38(46-34)50(2)14-16-76(54,55)56)42-28-20-26(78(60,61)62)10-12-30(28)80(66,67)68;;;;;;;;/h3-12,17-20H,13-16H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;;;;;;;/q;8*+1/p-8/b4-3+;;;;;;;;