BOPTA
CAS Registry Number®
113786-33-7
No image available.
CAS Name
BOPTAMolecular Formula
C22H31N3O11Molecular Mass
513.49Cite this Page
BOPTA. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=113786-33-7 (retrieved ) (CAS RN: 113786-33-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H31N3O11/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)
InChIKey
InChIKey=OEIYJWYTUDFZBH-UHFFFAOYSA-N
SMILES
N(C(COCC1=CC=CC=C1)C(O)=O)(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O
Canonical SMILES
O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)C(C(=O)O)COCC=1C=CC=CC1
Other Names for this Substance
- 12-Oxa-3,6,9-triazatridecanoic acid, 10-carboxy-3,6,9-tris(carboxymethyl)-13-phenyl-
- 2-Oxa-5,8,11-triazatridecan-13-oic acid, 4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-
- 10-Carboxy-3,6,9-tris(carboxymethyl)-13-phenyl-12-oxa-3,6,9-triazatridecanoic acid
- BOPTA
- B 19036
