ALTERNATIVE DEFINITION for [ACID YELLOW 218]

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H35Cl2N5O9S2.2Na
Molecular Weight	778.632
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [ACID YELLOW 218]

Structure Search

SMILES

[Na+].[Na+].CCCCCCCCCCCCOC(=O)NC1=CC=C(C(=C1)\N=N\C2C(=O)N(N=C2C)C3=C(Cl)C=C(C(Cl)=C3)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=HKAOXGYNZYWYAQ-ZIJRHPRESA-L

InChI=1S/C29H37Cl2N5O9S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44;;/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b34-33+;;

HIDE SMILES / InChI

Molecular Formula	C29H35Cl2N5O9S2
Molecular Weight	732.652
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 05:03:45 GMT 2025` Edited by `admin` on `Wed Apr 02 05:03:45 GMT 2025`
Record UNII	4OWI5Z36CV
Record Status	`alternative`
Record Version

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					4OWI5Z36CV

ACID YELLOW 218

Related Record Type Details


					4OWI5Z36CV

ACID YELLOW 218

Primary Definition