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

CAS Registry Number®

29637-52-3

CAS Name

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

Molecular Formula

C42H46N14O16S4.4Na

Cite this Page

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)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=29637-52-3 (retrieved 2025-01-05) (CAS RN: 29637-52-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(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=SDVDEURNOQDDFL-UHFFFAOYSA-N

SMILES

N(CCC(N)=O)(CCO)C=1N=C(NC2=CC(S(=O)(=O)O)=C(C=CC3=C(S(=O)(=O)O)C=C(NC=4N=C(N(CCC(N)=O)CCO)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=C(N)CCN(C=1N=C(N=C(N1)NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)O)NC4=NC(=NC(=N4)N(CCO)CCC(=O)N)NC5=CC=C(C=C5)S(=O)(=O)O)C(=C2)S(=O)(=O)O)NC6=CC=C(C=C6)S(=O)(=O)O)CCO

Other Names for this Substance

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

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