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Details

Stereochemistry ACHIRAL
Molecular Formula C22H14Br2O5
Molecular Weight 518.152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4?,5?-Dibromo-3?,6?-dihydroxy-2?,7?-dimethylspiro[isobenzofuran-1(3H),9?-[9H]xanthen]-3-one

SMILES

CC1=C(O)C(Br)=C2OC3=C(Br)C(O)=C(C)C=C3C4(OC(=O)C5=CC=CC=C45)C2=C1

InChI

InChIKey=KCHVZEAMZOXQJI-UHFFFAOYSA-N
InChI=1S/C22H14Br2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4?,5?-Dibromo-3?,6?-dihydroxy-2?,7?-dimethylspiro[isobenzofuran-1(3H),9?-[9H]xanthen]-3-one
Systematic Name English
NSC-60663
Preferred Name English
Spiro[isobenzofuran-1(3H),9?-[9H]xanthen]-3-one, 4?,5?-dibromo-3?,6?-dihydroxy-2?,7?-dimethyl-
Systematic Name English
Code System Code Type Description
CAS
6627-40-3
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
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NSC
60663
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
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FDA UNII
RTK8DRH849
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
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EPA CompTox
DTXSID40216466
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
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PUBCHEM
73520
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-593-6
Created by admin on Tue Apr 01 19:29:56 GMT 2025 , Edited by admin on Tue Apr 01 19:29:56 GMT 2025
PRIMARY