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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16O5
Molecular Weight 360.3594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3′,6′-Dimethoxy-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one

SMILES

COC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(OC)C=C5

InChI

InChIKey=GRIKUIPJBHJPPN-UHFFFAOYSA-N
InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H16O5
Molecular Weight 360.3594
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:35:59 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:59 GMT 2023
Record UNII
VR6T85J6PC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3′,6′-Dimethoxy-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one
Systematic Name English
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dimethoxy-
Systematic Name English
3′,6′-Dimethoxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
Systematic Name English
Code System Code Type Description
PUBCHEM
169832
Created by admin on Sat Dec 16 12:35:59 GMT 2023 , Edited by admin on Sat Dec 16 12:35:59 GMT 2023
PRIMARY
CAS
36886-76-7
Created by admin on Sat Dec 16 12:35:59 GMT 2023 , Edited by admin on Sat Dec 16 12:35:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-255-7
Created by admin on Sat Dec 16 12:35:59 GMT 2023 , Edited by admin on Sat Dec 16 12:35:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID2068006
Created by admin on Sat Dec 16 12:35:59 GMT 2023 , Edited by admin on Sat Dec 16 12:35:59 GMT 2023
PRIMARY
FDA UNII
VR6T85J6PC
Created by admin on Sat Dec 16 12:35:59 GMT 2023 , Edited by admin on Sat Dec 16 12:35:59 GMT 2023
PRIMARY