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C.I. Acid red 374

CAT: 0931-T85953-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85953-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6507-78-4
Target
Others
Related Pathways
Others
Bioactivity
C.I. Acid Red 374 is an acid red dye that can be adsorbed and removed by bentone clay (Bentone) .
Smiles
O=S(C(C=C1S(=O)([O-])=O)=CC2=C1C(/N=N/C3=CC=C(C=C3)C4(C5=CC=C(C=C5)/N=N/C6=C(C7=C(C=CC=C7)C(S(=O)([O-])=O)=C6)O)CCCCC4)=C(O)C=C2)([O-])=O.[Na+].[Na+].[Na+]
Molecular Formula
C38H29N4Na3O11S3
Molecular Weight
882.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C.I. Acid Red 374

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CAS Number6507-78-4
PubChem CID135571027
IUPAC Nametrisodium;7-hydroxy-8-[[4-[1-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
Molecular FormulaC38H29N4Na3O11S3
Molecular Weight882.8
Topological Polar Surface Area287
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count59
Formal Charge0
Complexity1700
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O)C5=CC=C(C=C5)N=NC6=C(C=CC7=CC(=CC(=C76)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3
InChIKey
NWOFPTMLQCEISY-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of C.I. Acid Red 374
CAS: 6507-78-4
CID: 135571027
Formula: C38H29N4Na3O11S3
MW: 882.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight882.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass882.06880412
Monoisotopic Mass882.06880412
Topological Polar Surface Area287 Ų
Heavy Atom Count59
Formal Charge0
Complexity1700
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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