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C.I. Acid red 154

CAT: 0931-T85950-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85950-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6507-79-5
Target
Others
Related Pathways
Others
Bioactivity
C.I. Acid Red 154 is an acid red dye that can be adsorbed and removed by [bentone clay].
Smiles
CC1=C(/N=N/C2=C(O)C(C=C(C=C3)O)=C3C=C2S(=O)([O-])=O)C=CC(C4(C5=CC(C)=C(C=C5)/N=N/C6=C(O)C(C=C(C=C7)O)=C7C=C6S(=O)([O-])=O)CCCCC4)=C1.[Na+].[Na+]
Molecular Formula
C40H34N4Na2O10S2
Molecular Weight
840.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Disodium 3,3'-(cyclohexylidenebis((2-methyl-4,1-phenylene)azo))bis(4,6-dihydroxynaphthalene-2-sulphonate)
CAS Number6507-79-5
PubChem CID160851
IUPAC Namedisodium;3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonate
Molecular FormulaC40H34N4Na2O10S2
Molecular Weight840.8
Topological Polar Surface Area262
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count58
Formal Charge0
Complexity1490
SMILES
CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=CC(=CC5=C4O)O)S(=O)(=O)[O-])C)N=NC6=C(C=C7C=CC(=CC7=C6O)O)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
InChIKey
SWYAODARJIJAKL-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium 3,3'-(cyclohexylidenebis((2-methyl-4,1-phenylene)azo))bis(4,6-dihydroxynaphthalene-2-sulphonate)
CAS: 6507-79-5
CID: 160851
Formula: C40H34N4Na2O10S2
MW: 840.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight840.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass840.15117421
Monoisotopic Mass840.15117421
Topological Polar Surface Area262 Ų
Heavy Atom Count58
Formal Charge0
Complexity1490
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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