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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22O4
Molecular Weight 302.3649
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-DIHYDROXYHEXESTROL

SMILES

CCC(C(CC)C1=CC(O)=C(O)C=C1)C2=CC(O)=C(O)C=C2

InChI

InChIKey=SQJDIVYCVVFMOZ-UHFFFAOYSA-N
InChI=1S/C18H22O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,13-14,19-22H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H22O4
Molecular Weight 302.3649
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:51:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:51:31 GMT 2023
Record UNII
414R2XFD5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-DIHYDROXYHEXESTROL
Systematic Name English
3',3''-DIHYDROXYHEXESTROL
Systematic Name English
REL-4,4'-((1R,2S)-1,2-DIETHYL-1,2-ETHANEDIYL)BIS(1,2-BENZENEDIOL)
Systematic Name English
1,2-BENZENEDIOL, 4,4'-((1R,2S)-1,2-DIETHYL-1,2-ETHANEDIYL)BIS-, REL-
Systematic Name English
NSC-35753
Code English
1,2-BENZENEDIOL, 4,4'-(1,2-DIETHYL-1,2-ETHANEDIYL)BIS-, (R*,S*)-
Systematic Name English
Code System Code Type Description
FDA UNII
414R2XFD5W
Created by admin on Sat Dec 16 08:51:31 GMT 2023 , Edited by admin on Sat Dec 16 08:51:31 GMT 2023
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CAS
79199-51-2
Created by admin on Sat Dec 16 08:51:31 GMT 2023 , Edited by admin on Sat Dec 16 08:51:31 GMT 2023
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EPA CompTox
DTXSID6022503
Created by admin on Sat Dec 16 08:51:31 GMT 2023 , Edited by admin on Sat Dec 16 08:51:31 GMT 2023
PRIMARY
PUBCHEM
97762
Created by admin on Sat Dec 16 08:51:31 GMT 2023 , Edited by admin on Sat Dec 16 08:51:31 GMT 2023
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NSC
35753
Created by admin on Sat Dec 16 08:51:31 GMT 2023 , Edited by admin on Sat Dec 16 08:51:31 GMT 2023
PRIMARY