2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-5,6-DIOL, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H11NO5
Molecular Weight	273.2408
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-5,6-DIOL, TRANS-

Structure Search

SMILES

O[C@@H]1[C@@H](O)C2=C(CC1=O)C=C3C=C(C=CC3=C2)[N+]([O-])=O

InChI

InChIKey=JADYKDUQDFUWCA-KBPBESRZSA-N

InChI=1S/C14H11NO5/c16-12-6-9-3-8-4-10(15(19)20)2-1-7(8)5-11(9)13(17)14(12)18/h1-5,13-14,17-18H,6H2/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H11NO5
Molecular Weight	273.2408
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 21:51:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:17 GMT 2025`
Record UNII	1EM9JL78LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-5,6-DIOL, TRANS-

Common Name

English

2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-5,6-DIOL, TRANS-(±)-

Preferred Name

English

2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-TRANS-5,6-DIOL

Common Name

English

(3R,4S)-3,4-DIHYDROXY-7-NITRO-3,4-DIHYDRO-1H-ANTHRACEN-2-ONE

Systematic Name

English

2(1H)-ANTHRACENONE, 3,4-DIHYDRO-3,4-DIHYDROXY-7-NITRO-, TRANS-

Systematic Name

English

(3R,4S)-3,4-DIHYDROXY-7-NITRO-3,4-DIHYDRO-2(1H)-ANTHRACENONE

Systematic Name

English

Code System Code Type Description

CAS

109897-80-5

Created by admin on Mon Mar 31 21:51:17 GMT 2025 , Edited by admin on Mon Mar 31 21:51:17 GMT 2025

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FDA UNII

1EM9JL78LE

Created by admin on Mon Mar 31 21:51:17 GMT 2025 , Edited by admin on Mon Mar 31 21:51:17 GMT 2025

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PUBCHEM

123014

Created by admin on Mon Mar 31 21:51:17 GMT 2025 , Edited by admin on Mon Mar 31 21:51:17 GMT 2025

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EPA CompTox

DTXSID90149073

Created by admin on Mon Mar 31 21:51:17 GMT 2025 , Edited by admin on Mon Mar 31 21:51:17 GMT 2025

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