Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)

CAS Registry Number®

67786-25-8

CAS Name

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)

Molecular Formula

C44H52N12O16S4.4Na

Cite this Page

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67786-25-8 (retrieved 2025-01-05) (CAS RN: 67786-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;

InChIKey

InChIKey=VDAQETVHTYWYNB-UHFFFAOYSA-N

SMILES

N(CC(C)O)(CC(C)O)C=1N=C(NC2=CC(S(=O)(=O)O)=C(C=CC3=C(S(=O)(=O)O)C=C(NC=4N=C(N(CC(C)O)CC(C)O)N=C(NC5=CC=C(S(=O)(=O)O)C=C5)N4)C=C3)C=C2)N=C(NC6=CC=C(S(=O)(=O)O)C=C6)N1.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C=C1)NC=2N=C(N=C(N2)N(CC(O)C)CC(O)C)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)O)NC5=NC(=NC(=N5)N(CC(O)C)CC(O)C)NC6=CC=C(C=C6)S(=O)(=O)O)C(=C3)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
  • 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-[bis(2-hydroxypropyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt

Deleted or Replaced CAS Registry Numbers

2151869-02-0

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