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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H13NO4
Molecular Weight 307.3001
Optical Activity UNSPECIFIED
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, (3R-TRANS)-

SMILES

O[C@@H]1C=CC2=C3C=C4C=CC=CC4=C(C3=CC=C2[C@H]1O)[N+]([O-])=O

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

Molecular Formula C18H13NO4
Molecular Weight 307.3001
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 07:34:46 GMT 2023
Edited
by admin
on Sat Dec 16 07:34:46 GMT 2023
Record UNII
3I4BC95583
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDRO-7-NITRO-BENZ(A)ANTHRACENE-3,4-DIOL, (3R-TRANS)-
Systematic Name English
BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-7-NITRO-, (3R-TRANS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
163540
Created by admin on Sat Dec 16 07:34:46 GMT 2023 , Edited by admin on Sat Dec 16 07:34:46 GMT 2023
PRIMARY
CAS
87261-28-7
Created by admin on Sat Dec 16 07:34:46 GMT 2023 , Edited by admin on Sat Dec 16 07:34:46 GMT 2023
PRIMARY
FDA UNII
3I4BC95583
Created by admin on Sat Dec 16 07:34:46 GMT 2023 , Edited by admin on Sat Dec 16 07:34:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID20236243
Created by admin on Sat Dec 16 07:34:46 GMT 2023 , Edited by admin on Sat Dec 16 07:34:46 GMT 2023
PRIMARY