Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
CAS Registry Number®
27344-06-5
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CAS Name
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)Molecular Formula
C42H46N14O10S2.2NaCite this Page
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=27344-06-5 (retrieved ) (CAS RN: 27344-06-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;
InChIKey
InChIKey=HOMMAKSEUMVNLP-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=CC=C5)N4)C=C3)C=C2)N=C(NC6=CC=CC=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)NC=5C=CC=CC5)C(=C2)S(=O)(=O)O)NC=6C=CC=CC6)CCO
Other Names for this Substance
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
- 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Deleted or Replaced CAS Registry Numbers
2518246-68-7
