2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid

CAS Registry Number®

96314-98-6
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CAS Name

2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid

Molecular Formula

C29H27N3O14

Molecular Mass

641.54

Cite this Page

2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96314-98-6 (retrieved 2024-05-01) (CAS RN: 96314-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H27N3O14/c1-15-2-3-17(31(11-24(33)34)12-25(35)36)20(6-15)43-4-5-44-21-7-16-8-22(28-30-10-23(46-28)29(41)42)45-19(16)9-18(21)32(13-26(37)38)14-27(39)40/h2-3,6-10H,4-5,11-14H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

InChIKey=YFHXZQPUBCBNIP-UHFFFAOYSA-N

SMILES

N(CC(O)=O)(CC(O)=O)C1=C(OCCOC2=C(N(CC(O)=O)CC(O)=O)C=CC(C)=C2)C=C3C(=C1)OC(=C3)C=4OC(C(O)=O)=CN4

Canonical SMILES

O=C(O)C=1OC(=NC1)C=2OC=3C=C(C(OCCOC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)C)=CC3C2)N(CC(=O)O)CC(=O)O

Other Names for this Substance

  • 5-Oxazolecarboxylic acid, 2-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-
  • 2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid
  • Fura 2

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