5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)salicylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14N2O9S2
Molecular Weight	454.431
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)salicylic acid

Structure Search

SMILES

CC1=NN(C(=O)C1)C2=CC(=CC=C2S(=O)(=O)C3=CC(C(O)=O)=C(O)C=C3)S(O)(=O)=O

InChI

InChIKey=SQFSKKWFISMBPH-UHFFFAOYSA-N

InChI=1S/C17H14N2O9S2/c1-9-6-16(21)19(18-9)13-8-11(30(26,27)28)3-5-15(13)29(24,25)10-2-4-14(20)12(7-10)17(22)23/h2-5,7-8,20H,6H2,1H3,(H,22,23)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C17H14N2O9S2
Molecular Weight	454.431
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 `Sat Dec 16 12:40:02 GMT 2023` Edited by `admin` on `Sat Dec 16 12:40:02 GMT 2023`
Record UNII	HU7V42KMJ8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)salicylic acid

Systematic Name

English

5-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid

Systematic Name

English

5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acid

Systematic Name

English

Benzoic acid, 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxy-

Systematic Name

English

Code System Code Type Description

FDA UNII

HU7V42KMJ8