INDIGOTINE P FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10N2O14S4
Molecular Weight	582.516
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC(=C2N\C(C(=O)C2=C1)=C3\NC4=C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)C3=O)S(O)(=O)=O

InChI

InChIKey=PFGCFTSBVNIOSI-BUHFOSPRSA-N

InChI=1S/C16H10N2O14S4/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)/b14-13+

HIDE SMILES / InChI

Molecular Formula	C16H10N2O14S4
Molecular Weight	582.516
Charge	0
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 `Tue Apr 01 16:39:30 GMT 2025` Edited by `admin` on `Tue Apr 01 16:39:30 GMT 2025`
Record UNII	8I454XLY0J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INDIGOTINE P FREE ACID

Common Name

English

(.DELTA.2,2'-BIINDOLINE)-5,5',7,7'-TETRASULFONIC ACID, 3,3'-DIOXO-

Preferred Name

English

INDIGO-5,5',7,7'-TETRASULFONIC ACID

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

8I454XLY0J

Created by admin on Tue Apr 01 16:39:30 GMT 2025 , Edited by admin on Tue Apr 01 16:39:30 GMT 2025

PRIMARY

CAS

25180-62-5

Created by admin on Tue Apr 01 16:39:30 GMT 2025 , Edited by admin on Tue Apr 01 16:39:30 GMT 2025

PRIMARY

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