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Dimethyl sulfonazo lll

CAT: 0024-sc-294356ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-294356ASize:250 mg
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CAS Number
14979-11-4

Chemical Information

4,5-Dihydroxy-3,6-bis(2-(4-methyl-2-sulfophenyl)diazenyl)-2,7-naphthalenedisulfonic acid
CAS Number14979-11-4
PubChem CID135496539
IUPAC Name4,5-dihydroxy-3,6-bis[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Molecular FormulaC24H20N4O14S4
Molecular Weight716.7
XLogP2.3
Topological Polar Surface Area341
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1480
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)C)S(=O)(=O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey
KVJXQZRHQQUTSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dihydroxy-3,6-bis(2-(4-methyl-2-sulfophenyl)diazenyl)-2,7-naphthalenedisulfonic acid
CAS: 14979-11-4
CID: 135496539
Formula: C24H20N4O14S4
MW: 716.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.7
XLogP32.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass715.98588602
Monoisotopic Mass715.98588602
Topological Polar Surface Area341 Ų
Heavy Atom Count46
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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