ALTERNATIVE DEFINITION for [PIGMENT YELLOW 183]

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H10Cl2N4O7S2.Ca
Molecular Weight	545.387
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [PIGMENT YELLOW 183]

Structure Search

SMILES

[Ca++].CC1=NN(C(=O)C1\N=N\C2=CC(Cl)=C(Cl)C=C2S([O-])(=O)=O)C3=CC=CC(=C3)S([O-])(=O)=O

InChI

InChIKey=KJAXOZTWNHRZQG-RZLHGTIFSA-L

InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+;

HIDE SMILES / InChI

Molecular Formula	C16H10Cl2N4O7S2
Molecular Weight	505.309
Charge	-2
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 `Wed Apr 02 06:30:31 GMT 2025` Edited by `admin` on `Wed Apr 02 06:30:31 GMT 2025`
Record UNII	VVH58816TS
Record Status	`alternative`
Record Version

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					VVH58816TS

PIGMENT YELLOW 183

Related Record Type Details


					VVH58816TS

PIGMENT YELLOW 183

Primary Definition