BOPTA

CAS Registry Number®

113786-33-7

CAS Name

BOPTA

Molecular Formula

C22H31N3O11

Molecular Mass

513.49

Cite 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 2024-11-22) (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

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