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Details

Stereochemistry RACEMIC
Molecular Formula C18H13NO4
Molecular Weight 307.3001
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDRO-7-NITRO-BENZ(A)ANTHRACENE-3,4-DIOL, TRANS-

SMILES

O[C@@H]1C=CC2=C(C=CC3=C(C4=CC=CC=C4C=C23)[N+]([O-])=O)[C@H]1O

InChI

InChIKey=HXVOYNIFZXGULL-SJLPKXTDSA-N
InChI=1S/C18H13NO4/c20-16-8-7-12-14(18(16)21)6-5-13-15(12)9-10-3-1-2-4-11(10)17(13)19(22)23/h1-9,16,18,20-21H/t16-,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
7-NITROBENZ(A)ANTHRACENE-TRANS-3,4-DIHYDRODIOL
Preferred Name English
3,4-DIHYDRO-7-NITRO-BENZ(A)ANTHRACENE-3,4-DIOL, TRANS-
Systematic Name English
3,4-DIHYDRO-7-NITRO-BENZ(A)ANTHRACENE-3,4-DIOL, TRANS-(±)-
Systematic Name English
BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-7-NITRO-, (3R,4R)-REL-
Systematic Name English
Code System Code Type Description
CAS
106624-77-5
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
PUBCHEM
163540
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID90910063
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
FDA UNII
46X56JZZ10
Created by admin on Mon Mar 31 22:22:02 GMT 2025 , Edited by admin on Mon Mar 31 22:22:02 GMT 2025
PRIMARY
NIH
NCATS
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