AG003TOD

62625-16-5 | PHENOLPHTHALEIN DISULFATE TRIPOTASSIUM SALT TRIHYDRATE

AG003TOD

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CAS Number	62625-16-5
Catalog Number	AG003TOD(AGN-PC-0T596Z)
Chemical Name	PHENOLPHTHALEIN DISULFATE TRIPOTASSIUM SALT TRIHYDRATE
EC Number	263-648-5
IUPAC Name	tripotassium;2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate
InChI	InChI=1S/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChI Key	PLHSVCWOEHYSHO-UHFFFAOYSA-K
MDL Number	MFCD00150194
Molecular Formula	C20H13K3O11S2
Molecular Weight	610.7355
SMILES	O=C([O-])C1=C(C=CC=C1)C(C2=CC=C(OS(=O)([O-])=O)C=C2)(O)C3=CC=C(OS(=O)([O-])=O)C=C3.[K+].[K+].[K+]
Synonyms	62625-16-5, PHENOLPHTHALEIN DISULFATE TRIPOTASSIUM SALT, Phenolphthalein disulfate tripotassium salt hydrate, EINECS 263-648-5, AC1Q1TRG, AC1L3C79, C20H13O11S2.3K, 6539AF, tripotassium 2-(hydroxy{bis[4-(sulfonatooxy)phenyl]}methyl)benzoate, Tripotassium 2-(hydroxybis(4-(sulphonatooxy)phenyl)methyl)benzoate, Benzoic acid, 2-(hydroxybis(4-(sulfooxy)phenyl)methyl)-, tripotassium salt, ACM52322164, Benzoic acid, 2-(hydroxybis(4-(sulfooxy)phenyl)methyl)-, potassium salt (1:3), P0097, I14-93055, tripotassium 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate, 2-[Hydroxybis[4-(sulfooxy)phenyl]methyl]benzoic acid tripotassium salt, C20H14O10S2.2K, C20H16O11S2.3K, EINECS 257-849-7, Phenolphthalein Disulfate Potassium Salt, AR-1L7630, CID112881, C20-H14-O10-S2.2K, C20-H16-O11-S2.3K, PHENOLPHTHALEINDISULFATEPOTASSIUMSALT, Phenolphthalein disulfate potassium salt hydrate, Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, tripotassium salt, Tripotassium 2-[hydroxybis[4-(sulphonatooxy)phenyl]methyl]benzoate, 1(3H)-Isobenzofuranone, 3,3-bis(4-(sulfooxy)phenyl)-, dipotassium salt, 1(3H)-Isobenzofuranone, 3,3-bis[4-(sulfooxy)phenyl]-, dipotassium salt, 52322-16-4, Dipotassium 1-oxo-3H-isobenzofuran-3,3-diylbis(p-phenylene) bis(sulphate), 1(3H)-Isobenzofuranone, 3,3-bis(4-(sulfooxy)phenyl)-, potassium salt (1:2), Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3), 75790-56-6,

Complexity	788
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	609.881g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	610.728g/mol
Monoisotopic Mass	609.881g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	210A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number