Ponceau S
CAS Registry Number®
6226-79-5
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CAS Name
Ponceau SMolecular Formula
C22H16N4O13S4.4NaCite this Page
Ponceau S. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6226-79-5 (retrieved ) (CAS RN: 6226-79-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;
InChIKey
InChIKey=NTBFSRIJWHXCHG-UHFFFAOYSA-N
SMILES
N(=NC1=C(S(=O)(=O)O)C=C(N=NC2=CC=C(S(=O)(=O)O)C=C2)C=C1)C=3C4=C(C=C(S(=O)(=O)O)C3O)C=C(S(=O)(=O)O)C=C4.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C(C=C4C=C(C=CC43)S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)C=C1
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:4)
- C.I. Acid Red 112, tetrasodium salt
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-, tetrasodium salt
- Ponceau S
- C.I. Acid Red 112
