CAS Registry Number®
99469-99-5
CAS Name
3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
Molecular Formula
C13H16O5
Molecular Mass
252.26
Other Names and Identifiers
InChI
InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
InChIKey=OTGSESBEJUHCES-UHFFFAOYSA-N
SMILES
O(CC)C1=C(C(OCC)=O)C=CC(CC(O)=O)=C1
Canonical SMILES
O=C(OCC)C1=CC=C(C=C1OCC)CC(=O)O
Other Names for this Substance
- Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-
- 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
- [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid
- Ethyl 4-carboxymethyl-2-ethoxybenzoate
- 2-[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid
Deleted or Replaced CAS Registry Numbers
219921-54-7
