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Ponceau S

Catalog Number DYE-INT-0213
CAS Number 6226-79-5
Structure
Synonyms 2,7-Naphthalenedisulfonicacid,3-hydroxy-4-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-,tetrasodiumsalt
IUPAC Name tetrasodium;3-hydroxy-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Molecular Weight 696.62 g/mol
Molecular Formula C22H17N4NaO13S4
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);;;;/q;4*+1/p-4
InChI Key KQHKSGRIBYJYFX-UHFFFAOYSA-J
Purity 95%
Density 1.01 g/ml
Appearance Powder
Isomeric SMILES C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

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