C.I.Acid Red 35

CAT: 0926-FA41275-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FA41275-01Size:50 mg

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CAS Number

6441-93-6

MDL Number

MFCD03939208

Smiles

CC1=CC=CC=C1N=NC2=C (C3=C (C=C (C=C3C=C2S (=O) (=O) [O-]) S (=O) (=O) [O-]) NC (=O) C) O.[Na+].[Na+]

Controlled

Chemical Information

Acid Red 35

CAS Number	6441-93-6
PubChem CID	80916
IUPAC Name	disodium;5-acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonate
Molecular Formula	C19H15N3Na2O8S2
Molecular Weight	523.5
Topological Polar Surface Area	205
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	34
Formal Charge	0
Complexity	901

SMILES

CC1=CC=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O.[Na+].[Na+]

InChI

InChI=1S/C19H17N3O8S2.2Na/c1-10-5-3-4-6-14(10)21-22-18-16(32(28,29)30)8-12-7-13(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2

InChIKey

LGWXIBBJZQOXSO-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 6441-93-6

CID: 80916

Formula: C19H15N3Na2O8S2

MW: 523.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	523.00959536
Monoisotopic Mass	523.00959536
Topological Polar Surface Area	205 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	901
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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C.I.Acid Red 35

Chemical Information

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