4′-(Aminomethyl)-3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid

CAS Registry Number®

198546-45-1
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CAS Name

4′-(Aminomethyl)-3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid

Molecular Formula

C22H15NO7

Molecular Mass

405.36

Cite this Page

4′-(Aminomethyl)-3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=198546-45-1 (retrieved 2024-07-02) (CAS RN: 198546-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H15NO7/c23-9-13-17(25)6-5-16-19(13)29-18-8-11(24)2-4-15(18)22(16)14-3-1-10(20(26)27)7-12(14)21(28)30-22/h1-8,24-25H,9,23H2,(H,26,27)

InChIKey

InChIKey=XFKDGPVFYXJRQB-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C(OC=4C2=CC=C(O)C4)=C(CN)C(O)=CC3)C=5C1=CC(C(O)=O)=CC5

Canonical SMILES

O=C(O)C1=CC=C2C(=C1)C(=O)OC32C4=CC=C(O)C=C4OC=5C3=CC=C(O)C5CN

Other Names for this Substance

  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid, 4′-(aminomethyl)-3′,6′-dihydroxy-3-oxo-
  • 4′-(Aminomethyl)-3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid