Identification Common Name Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt Class Small Molecule Description Not Available Contaminant Sources HPV EPA Chemicals
OECD HPV Chemicals
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source Tetrasodium 5-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulfonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-[(e)-2-[4-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulfonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulfonatophenyl]ethenyl]benzene-1-sulfonic acid Generator Tetrasodium 5-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulphonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-[(e)-2-[4-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulphonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulphonatophenyl]ethenyl]benzene-1-sulphonate Generator Tetrasodium 5-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulphonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-[(e)-2-[4-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulphonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulphonatophenyl]ethenyl]benzene-1-sulphonic acid Generator
Chemical Formula C40 H40 N12 Na4 O16 S4 Average Molecular Mass 1165.030 g/mol Monoisotopic Mass 1164.116 g/mol CAS Registry Number 16470-24-9 IUPAC Name tetrasodium 5-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulfonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-[(E)-2-[4-({6-[bis(2-hydroxyethyl)amino]-4-[(4-sulfonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulfonatophenyl]ethenyl]benzene-1-sulfonate Traditional Name tetrasodium 5-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-3H-1,3,5-triazin-2-ylidene}amino)-2-[(E)-2-[4-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-3H-1,3,5-triazin-2-ylidene}amino)-2-sulfonatophenyl]ethenyl]benzenesulfonate SMILES [Na+].[Na+].[Na+].[Na+].[H]\C(=C(\[H])C1=C(C=C(C=C1)N=C1NC(=NC(NC2=CC=C(C=C2)S([O-])(=O)=O)=N1)N(CCO)CCO)S([O-])(=O)=O)C1=C(C=C(C=C1)N=C1NC(=NC(NC2=CC=C(C=C2)S([O-])(=O)=O)=N1)N(CCO)CCO)S([O-])(=O)=O InChI Identifier InChI=1S/C40H44N12O16S4.4Na/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62;;;;/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;; InChI Key CPZFDTYTCMAAQX-MBCFVHIPSA-J 
