TRISODIUM INDIGO-5,5',7'-TRISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H7N2O11S3.3Na
Molecular Weight	568.398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM INDIGO-5,5',7'-TRISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC2=C(N\C(C2=O)=C3\NC4=C(C=C(C=C4S([O-])(=O)=O)S([O-])(=O)=O)C3=O)C=C1

InChI

InChIKey=QCFDSNBEXWRESL-VPOCKCTCSA-K

InChI=1S/C16H10N2O11S3.3Na/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b14-13+;;;

HIDE SMILES / InChI

Molecular Formula	C16H7N2O11S3
Molecular Weight	499.429
Charge	-3
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 18:31:08 GMT 2023` Edited by `admin` on `Sat Dec 16 18:31:08 GMT 2023`
Record UNII	9QQS3J475J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM INDIGO-5,5',7'-TRISULFONATE

Common Name

English

1H-INDOLE-5,7-DISULFONIC ACID, 2-(1,3-DIHYDRO-3-OXO-5-SULFO-2H-INDOL-2-YLIDENE)-2,3-DIHYDRO-3-OXO-, TRISODIUM SALT

Systematic Name

English

1H-INDOLE-5,7-DISULFONIC ACID, 2-(1,3-DIHYDRO-3-OXO-5-SULFO-2H-INDOL-2-YLIDENE)-2,3-DIHYDRO-3-OXO-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

14550084

Created by admin on Sat Dec 16 18:31:08 GMT 2023 , Edited by admin on Sat Dec 16 18:31:08 GMT 2023

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FDA UNII

9QQS3J475J

Created by admin on Sat Dec 16 18:31:08 GMT 2023 , Edited by admin on Sat Dec 16 18:31:08 GMT 2023

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CAS

95713-40-9

Created by admin on Sat Dec 16 18:31:08 GMT 2023 , Edited by admin on Sat Dec 16 18:31:08 GMT 2023

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INDIGO-5,5',7'-TRISULFONIC ACID

PARENT -> SALT/SOLVATE