N-[2-[2-[2-[Bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)glycine

CAS Registry Number®

123632-39-3
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CAS Name

N-[2-[2-[2-[Bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)glycine

Molecular Formula

C36H30Cl2N2O13

Molecular Mass

769.53

Cite this Page

N-[2-[2-[2-[Bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)glycine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123632-39-3 (retrieved 2024-04-27) (CAS RN: 123632-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

InChIKey

InChIKey=OZLGRUXZXMRXGP-UHFFFAOYSA-N

SMILES

ClC=1C=C2C(=C3C(OC2=CC1O)=CC(=O)C(Cl)=C3)C4=CC(OCCOC5=C(N(CC(O)=O)CC(O)=O)C=CC(C)=C5)=C(N(CC(O)=O)CC(O)=O)C=C4

Canonical SMILES

O=C(O)CN(C=1C=CC(=CC1OCCOC2=CC(=CC=C2N(CC(=O)O)CC(=O)O)C)C3=C4C=C(Cl)C(=O)C=C4OC=5C=C(O)C(Cl)=CC53)CC(=O)O

Other Names for this Substance

  • Glycine, N-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)-
  • N-[2-[2-[2-[Bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)glycine
  • Fluo 3

Deleted or Replaced CAS Registry Numbers

121714-13-4, 122295-33-4, 129038-44-4

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