1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene, trans-

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 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene, trans-

Structure Search

SMILES

O[C@H]1C=CC2=C3C=C(C4=C(C=CC=C4)C3=CC=C2[C@@H]1O)[N+]([O-])=O

InChI

InChIKey=LZFRXTYVXJWZHG-ROUUACIJSA-N

InChI=1S/C18H13NO4/c20-17-8-7-12-14(18(17)21)6-5-11-10-3-1-2-4-13(10)16(19(22)23)9-15(11)12/h1-9,17-18,20-21H/t17-,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 `Mon Mar 31 22:30:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:30:52 GMT 2025`
Record UNII	WDU5RJL339
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene, trans-

Systematic Name

English

1,2-Chrysenediol, 1,2-dihydro-6-nitro-, (1R,2R)-rel-

Preferred Name

English

rel-(1R,2R)-1,2-Dihydro-6-nitro-1,2-chrysenediol

Systematic Name

English

1,2-Chrysenediol, 1,2-dihydro-6-nitro-, trans-

Systematic Name

English

trans-1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene

Systematic Name

English

Code System Code Type Description

FDA UNII

WDU5RJL339

Created by admin on Mon Mar 31 22:30:52 GMT 2025 , Edited by admin on Mon Mar 31 22:30:52 GMT 2025

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PUBCHEM

115211

Created by admin on Mon Mar 31 22:30:52 GMT 2025 , Edited by admin on Mon Mar 31 22:30:52 GMT 2025

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CAS

91828-72-7

Created by admin on Mon Mar 31 22:30:52 GMT 2025 , Edited by admin on Mon Mar 31 22:30:52 GMT 2025

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EPA CompTox

DTXSID50919496

Created by admin on Mon Mar 31 22:30:52 GMT 2025 , Edited by admin on Mon Mar 31 22:30:52 GMT 2025

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