Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)
CAS Registry Number®
61618-27-7
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CAS Name
Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)Molecular Formula
C15H13NO3.H2O.NaCite this Page
Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61618-27-7 (retrieved ) (CAS RN: 61618-27-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2
InChIKey
InChIKey=KEUITCXSWDYBKI-UHFFFAOYSA-N
SMILES
C(=O)(C1=C(N)C(CC(O)=O)=CC=C1)C2=CC=CC=C2.[Na].O
Canonical SMILES
[Na].O=C(O)CC=1C=CC=C(C(=O)C=2C=CC=CC2)C1N.O
Other Names for this Substance
- Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)
- Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt, monohydrate
