2,4,6-Trimethyl-3,5-dinitrobenzenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10N2O7S
Molecular Weight	290.25
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,6-Trimethyl-3,5-dinitrobenzenesulfonic acid

Structure Search

SMILES

CC1=C(C(C)=C(C(C)=C1[N+]([O-])=O)S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=RGNRSPQQRBBORA-UHFFFAOYSA-N

InChI=1S/C9H10N2O7S/c1-4-7(10(12)13)5(2)9(19(16,17)18)6(3)8(4)11(14)15/h1-3H3,(H,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C9H10N2O7S
Molecular Weight	290.25
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:29:52 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:52 GMT 2025`
Record UNII	74SNC88BF8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-

Preferred Name

English

2,4,6-Trimethyl-3,5-dinitrobenzenesulfonic acid

Systematic Name

English

2,4-Dinitro-1,3,5-trimethylbenzene-6-sulfonic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID2067749

Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025

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PUBCHEM

118403

Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025

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FDA UNII

74SNC88BF8

Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025

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ECHA (EC/EINECS)

251-392-7

Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025

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CAS

33144-12-6

Created by admin on Tue Apr 01 19:29:52 GMT 2025 , Edited by admin on Tue Apr 01 19:29:52 GMT 2025

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