Acid red 88

CAT: 0024-sc-214482Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-214482Size:100 g

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CAS Number

1658-56-6

Chemical Information

Acid red 88

See also: Acid Red 88 (annotation moved to).

CAS Number	1658-56-6
PubChem CID	135465069
IUPAC Name	sodium 4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Molecular Formula	C20H13N2NaO4S
Molecular Weight	400.4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	653

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H14N2O4S.Na/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h1-12,23H,(H,24,25,26);/q;+1/p-1

InChIKey

LGZQSRCLLIPAEE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1658-56-6

CID: 135465069

Formula: C20H13N2NaO4S

MW: 400.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	400.04937236
Monoisotopic Mass	400.04937236
Topological Polar Surface Area	111 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	653
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
BIM1576-01	Okadaic acid, free acid