CAS Registry Number®
120638-55-3
CAS Name
Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3)
Molecular Formula
C15H12BrNO3.3/2H2O.Na
Other Names and Identifiers
InChI
InChI=1S/C15H12BrNO3.Na.H2O/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;/h1-7H,8,17H2,(H,18,19);;1H2
InChIKey
InChIKey=MMNRQFFNCWNLBZ-UHFFFAOYSA-N
SMILES
C(=O)(C1=C(N)C(CC(O)=O)=CC=C1)C2=CC=C(Br)C=C2.[Na].O
Canonical SMILES
[Na].O=C(O)CC=1C=CC=C(C(=O)C2=CC=C(Br)C=C2)C1N.O
Other Names for this Substance
- Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, sodium salt, hydrate (2:2:3)
- Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt, hydrate (2:3)
- Yellox
