Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Northwest A&F University Shenzhen Research Institute    Joint Development

1. Primary Information

English name: Tropaeolin OO
CAS No.: 554-73-4
Molecular formula: C18H14N3NAO3S
Molecular weight: 375.4 g/mol
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
Structural class:
Other identifiers:

4-((4-(phenylamino)phenyl)azo)benzenesulfonic acid monosodium salt

p-((p-anilinophenyl)azo)benzenesulfonic acid sodium salt

tropaeolin IV OO

tropaeolin OO

tropaeolin OO, monosodium salt

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 20mg HPLC≥98% 64 2-8℃ in stock -
Kehua Intelligence 100ml 1.4-3.2 64 RT,避光,12个月 in stock -
Kehua Intelligence 25g IND 160 2-8℃ in stock -
Kehua Intelligence 100g IND 480 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

sodium;4-[(4-anilinophenyl)diazenyl]benzenesulfonate


4.2 InChI

InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1


4.3 InChIKey

MLVYOYVMOZFHIU-UHFFFAOYSA-M


4.4 Canonical SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --