C.I. 20195

CAT: 0931-T20891-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T20891-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5850-16-8

Target

Others

Related Pathways

Others

Bioactivity

C.I. 20195 is a brown dye.

Smiles

[Na+].[Na+].Oc1ccc(N=Nc2ccccccc(cc2)S([O-])(=O)=O)c(O)c1N=Nc1ccc(c2ccccc12)S([O-])(=O)=O

Molecular Formula

C26H16N4Na2O8S2

Molecular Weight

624.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

c.i. acid brown 14, disodium salt

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CAS Number	5850-16-8
PubChem CID	22110
IUPAC Name	disodium;4-[2-[4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
Molecular Formula	C26H16N4Na2O8S2
Molecular Weight	622.5
Topological Polar Surface Area	214
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Heavy Atom Count	42
Formal Charge	0
Complexity	1290

SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=CC(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O.[Na+].[Na+]

InChI

InChI=1S/C26H18N4O8S2.2Na/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20;;/h1-14,27-28H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

InChIKey

UTIACSXEVKXHPT-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 5850-16-8

CID: 22110

Formula: C26H16N4Na2O8S2

MW: 622.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	622.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	622.02049439
Monoisotopic Mass	622.02049439
Topological Polar Surface Area	214 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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