ALTERNATIVE DEFINITION for [1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE]

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H14N4O7S2
Molecular Weight	438.435
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE]

Structure Search

SMILES

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

InChI

InChIKey=RUSUVXHUZYUKCK-ISLYRVAYSA-N

InChI=1S/C16H14N4O7S2/c1-10-15(18-17-11-2-6-13(7-3-11)28(22,23)24)16(21)20(19-10)12-4-8-14(9-5-12)29(25,26)27/h2-9,15H,1H3,(H,22,23,24)(H,25,26,27)/b18-17+

HIDE SMILES / InChI

Molecular Formula	C16H14N4O7S2
Molecular Weight	438.435
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:43:55 GMT 2025` Edited by `admin` on `Wed Apr 02 05:43:55 GMT 2025`
Record UNII	LW23GH7B23
Record Status	`alternative`
Record Version

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					LW23GH7B23

1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE

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					LW23GH7B23

1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE

Primary Definition