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Details

Stereochemistry RACEMIC
Molecular Formula C13H14O4
Molecular Weight 234.2479
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRIHYDROXY-1-TETRALONE 4,5-ACETONIDE, TRANS-(±)-

SMILES

CC1(C)O[C@H]2C[C@H](O)C(=O)C3=CC=CC(O1)=C23

InChI

InChIKey=BLAVGHXHGJQTRX-WPRPVWTQSA-N
InChI=1S/C13H14O4/c1-13(2)16-9-5-3-4-7-11(9)10(17-13)6-8(14)12(7)15/h3-5,8,10,14H,6H2,1-2H3/t8-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14O4
Molecular Weight 234.2479
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:27 GMT 2023
Edited
by admin
on Sat Dec 16 14:14:27 GMT 2023
Record UNII
S8QBH8CC0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,5-TRIHYDROXY-1-TETRALONE 4,5-ACETONIDE, TRANS-(±)-
Common Name English
NAPHTHO(1,8-DE)-1,3-DIOXIN-6(3AH)-ONE, 4,5-DIHYDRO-2,2-DIMETHYL-, TRANS-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
S8QBH8CC0E
Created by admin on Sat Dec 16 14:14:27 GMT 2023 , Edited by admin on Sat Dec 16 14:14:27 GMT 2023
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CAS
110838-54-5
Created by admin on Sat Dec 16 14:14:27 GMT 2023 , Edited by admin on Sat Dec 16 14:14:27 GMT 2023
PRIMARY
PUBCHEM
23258846
Created by admin on Sat Dec 16 14:14:27 GMT 2023 , Edited by admin on Sat Dec 16 14:14:27 GMT 2023
PRIMARY