5-Carboxy-X-rhodamine

CAS Registry Number®

216699-35-3

CAS Name

5-Carboxy-X-rhodamine

Molecular Formula

C33H30N2O5

Cite this Page

5-Carboxy-X-rhodamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=216699-35-3 (retrieved 2024-12-01) (CAS RN: 216699-35-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(24(17-20)33(38)39)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)

InChIKey

InChIKey=UNGMOMJDNDFGJG-UHFFFAOYSA-N

SMILES

C([O-])(=O)C1=C(C=2C=3C(=C4C5=C(C3)CCCN5CCC4)[O+]=C6C2C=C7C8=C6CCCN8CCC7)C=CC(C(O)=O)=C1

Canonical SMILES

O=C([O-])C=1C=C(C=CC1C=2C=3C=C4C5=C(C3[O+]=C6C2C=C7C8=C6CCCN8CCC7)CCCN5CCC4)C(=O)O

Other Names for this Substance

  • 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-(2,4-dicarboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt
  • 5-Carboxy-X-rhodamine
  • 5-ROX
  • Red 5-ROX

Deleted or Replaced CAS Registry Numbers

1073190-57-4, 2316424-92-5

CAS INSIGHTSTM
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