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Direct Scarlet B

CAT: 0024-sc-486744Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-486744Size:25 g
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CAS Number
3530-19-6

Chemical Information

1,3-Naphthalenedisulfonic acid, 8-(2-(4'-(2-(4-ethoxyphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-7-hydroxy-, sodium salt (1:2)
CAS Number3530-19-6
PubChem CID165134
IUPAC Namedisodium;8-[[4-[4-[(4-ethoxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate
Molecular FormulaC30H22N4Na2O8S2
Molecular Weight676.6
Topological Polar Surface Area210
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1170
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C30H24N4O8S2.2Na/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41;;/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
InChIKey
PHOZXQMVPWPNAP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,3-Naphthalenedisulfonic acid, 8-(2-(4'-(2-(4-ethoxyphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-7-hydroxy-, sodium salt (1:2)
CAS: 3530-19-6
CID: 165134
Formula: C30H22N4Na2O8S2
MW: 676.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight676.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass676.06744458
Monoisotopic Mass676.06744458
Topological Polar Surface Area210 Ų
Heavy Atom Count46
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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