4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20N4O8S2
Molecular Weight	544.557
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Structure Search

SMILES

CC1=NN(C(=O)C1=CC=CC2=C(O)N(N=C2C)C3=CC=C(C=C3)S(O)(=O)=O)C4=CC=C(C=C4)S(O)(=O)=O

InChI

InChIKey=FNDCLGUEMQQMSV-XSVOUFOASA-N

InChI=1S/C23H20N4O8S2/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35/h3-13,28H,1-2H3,(H,30,31,32)(H,33,34,35)/b4-3+,21-5+

HIDE SMILES / InChI

Molecular Formula	C23H20N4O8S2
Molecular Weight	544.557
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:26:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:02 GMT 2025`
Record UNII	F83RN3VM8W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propen-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

F83RN3VM8W