4,5-DIHYDRO-1-NITRO-BENZO(E)PYRENE-4,5-DIOL, TRANS-

O[C@@H]1[C@@H](O)C2=C3C4=C(C=CC=C14)C5=C(C=CC=C5)C3=C(C=C2)[N+]([O-])=O

InChIKey=PFQODMFXFIFECF-PMACEKPBSA-N

InChI=1S/C20H13NO4/c22-19-13-7-3-6-11-10-4-1-2-5-12(10)17-15(21(24)25)9-8-14(20(19)23)18(17)16(11)13/h1-9,19-20,22-23H/t19-,20-/m0/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:40:33 GMT 2025` Edited by `admin` on `Tue Apr 01 19:40:33 GMT 2025`
Record UNII	R3K29P9RKY
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

BENZO(E)PYRENE-4,5-DIOL, 4,5-DIHYDRO-1-NITRO-, TRANS-

Preferred Name

English

4,5-DIHYDRO-1-NITRO-BENZO(E)PYRENE-4,5-DIOL, TRANS-

Systematic Name

English

Code System Code Type Description

PUBCHEM

150591

Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025

PRIMARY

EPA CompTox

DTXSID00150736

Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025

PRIMARY

FDA UNII

R3K29P9RKY

Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025

PRIMARY

CAS

114454-59-0

Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025

PRIMARY