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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-12-NITRO-3,4-CHRYSENEDIOL, TRANS-

SMILES

O[C@H]1C=CC2=C([C@@H]1O)C3=C(C=C2[N+]([O-])=O)C4=CC=CC=C4C=C3

InChI

InChIKey=FIVHJEBACQSOKY-FUHWJXTLSA-N
InChI=1S/C18H13NO4/c20-16-8-7-13-15(19(22)23)9-14-11-4-2-1-3-10(11)5-6-12(14)17(13)18(16)21/h1-9,16,18,20-21H/t16-,18+/m0/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 08:55:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:55:37 GMT 2023
Record UNII
5FU2481T9V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDRO-12-NITRO-3,4-CHRYSENEDIOL, TRANS-
Systematic Name English
3,4-CHRYSENEDIOL, 3,4-DIHYDRO-12-NITRO-, TRANS-
Systematic Name English
Code System Code Type Description
PUBCHEM
147225
Created by admin on Sat Dec 16 08:55:37 GMT 2023 , Edited by admin on Sat Dec 16 08:55:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID00922536
Created by admin on Sat Dec 16 08:55:37 GMT 2023 , Edited by admin on Sat Dec 16 08:55:37 GMT 2023
PRIMARY
FDA UNII
5FU2481T9V
Created by admin on Sat Dec 16 08:55:37 GMT 2023 , Edited by admin on Sat Dec 16 08:55:37 GMT 2023
PRIMARY
CAS
117760-92-6
Created by admin on Sat Dec 16 08:55:37 GMT 2023 , Edited by admin on Sat Dec 16 08:55:37 GMT 2023
PRIMARY