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New Red

CAT: 1299-RG-A262224-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262224-02Size:25 mg
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CAS Number
220658-76-4
Synonyms
5- (Acetylamino) -4-hydroxy-3-[2- (4-sulfophenyl) diazenyl]-2,7-naphthalenedisulfonic acid sodium salt (1:3), 5- (Acetylamino) -4-hydroxy-3-[ (4-sulfophenyl) azo]-2,7-naphthalenedisulfonic acid trisodium salt
Molecular Formula
C18H15N3O11S3*Na3
Molecular Weight
545.51*68.97
Product Name Synonym
5- (Acetylamino) -4-hydroxy-3-[2- (4-sulfophenyl) diazenyl]-2,7-naphthalenedisulfonic acid sodium salt (1:3),5- (Acetylamino) -4-hydroxy-3-[ (4-sulfophenyl) azo]-2,7-naphthalenedisulfonic acid trisodium salt

Chemical Information

New Red
CAS Number220658-76-4
PubChem CID137183221
IUPAC Nametrisodium;5-acetamido-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Molecular FormulaC18H12N3Na3O11S3
Molecular Weight611.5
Topological Polar Surface Area271
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1090
SMILES
CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H15N3O11S3.3Na/c1-9(22)19-14-8-13(34(27,28)29)6-10-7-15(35(30,31)32)17(18(23)16(10)14)21-20-11-2-4-12(5-3-11)33(24,25)26;;;/h2-8,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
InChIKey
PZAILUSNQOUEQZ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of New Red
CAS: 220658-76-4
CID: 137183221
Formula: C18H12N3Na3O11S3
MW: 611.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight611.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Exact Mass610.93270457
Monoisotopic Mass610.93270457
Topological Polar Surface Area271 Ų
Heavy Atom Count38
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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