2-NITRO-4-SULFOBENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO7S
Molecular Weight	247.182
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NITRO-4-SULFOBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=TTWGDMXWCNPKGS-UHFFFAOYSA-N

InChI=1S/C7H5NO7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula	C7H5NO7S
Molecular Weight	247.182
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 `Mon Mar 31 22:34:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:34:48 GMT 2025`
Record UNII	F6C6ST58WX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NITRO-4-SULFOBENZOIC ACID [MI]

Preferred Name

English

2-NITRO-4-SULFOBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2-NITRO-4-SULFO-

Systematic Name

English

Code System Code Type Description

FDA UNII

F6C6ST58WX

Created by admin on Mon Mar 31 22:34:48 GMT 2025 , Edited by admin on Mon Mar 31 22:34:48 GMT 2025

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EPA CompTox

DTXSID80566876

Created by admin on Mon Mar 31 22:34:48 GMT 2025 , Edited by admin on Mon Mar 31 22:34:48 GMT 2025

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MERCK INDEX

m8002

Created by admin on Mon Mar 31 22:34:48 GMT 2025 , Edited by admin on Mon Mar 31 22:34:48 GMT 2025

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Merck Index

PUBCHEM

15006705

Created by admin on Mon Mar 31 22:34:48 GMT 2025 , Edited by admin on Mon Mar 31 22:34:48 GMT 2025

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CAS

552-23-8

Created by admin on Mon Mar 31 22:34:48 GMT 2025 , Edited by admin on Mon Mar 31 22:34:48 GMT 2025

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