ALTERNATIVE DEFINITION for [ACID ORANGE 63]

Details

Stereochemistry	RACEMIC
Molecular Formula	C35H26N6O10S3.2Na
Molecular Weight	832.79
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [ACID ORANGE 63]

Structure Search

SMILES

[Na+].[Na+].CC1=NN(C(=O)C1\N=N\C2=CC=C(C=C2)C3=CC=C(\N=N\C4=CC=C(OS(=O)(=O)C5=CC=C(C)C=C5)C=C4)C(=C3)S([O-])(=O)=O)C6=CC=C(C=C6)S([O-])(=O)=O

InChI

InChIKey=ZHWICICYHQPKAD-PYIFGEPISA-L

InChI=1S/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,34H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b38-36+,39-37+;;

HIDE SMILES / InChI

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

Molecular Formula	C35H26N6O10S3
Molecular Weight	786.81
Charge	-2
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 04:33:07 GMT 2025` Edited by `admin` on `Wed Apr 02 04:33:07 GMT 2025`
Record UNII	3452D554GL
Record Status	`alternative`
Record Version

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					3452D554GL

ACID ORANGE 63

Related Record Type Details


					3452D554GL

ACID ORANGE 63

Primary Definition