ALUMINUM 2-(1,3-DIOXO-2,3-DIHYDRO-1H-INDEN-2-YL)QUINOLINE-6-SULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	3C18H10NO5S.Al
Molecular Weight	1084.004
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALUMINUM 2-(1,3-DIOXO-2,3-DIHYDRO-1H-INDEN-2-YL)QUINOLINE-6-SULFONATE

Structure Search

SMILES

[Al+3].[O-]S(=O)(=O)C1=CC=C2N=C(C=CC2=C1)C3C(=O)C4=C(C=CC=C4)C3=O.[O-]S(=O)(=O)C5=CC=C6N=C(C=CC6=C5)C7C(=O)C8=C(C=CC=C8)C7=O.[O-]S(=O)(=O)C9=CC=C%10N=C(C=CC%10=C9)C%11C(=O)C%12=C(C=CC=C%12)C%11=O

InChI

InChIKey=LGLOKPBUEWLCTR-UHFFFAOYSA-K

InChI=1S/3C18H11NO5S.Al/c3*20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15;/h3*1-9,16H,(H,22,23,24);/q;;;+3/p-3

HIDE SMILES / InChI

Molecular Formula	Al
Molecular Weight	26.9815
Charge	3
Count

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

Molecular Formula	C18H10NO5S
Molecular Weight	352.341
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 15:38:56 GMT 2023` Edited by `admin` on `Sat Dec 16 15:38:56 GMT 2023`
Record UNII	XNE8O5W342
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALUMINUM 2-(1,3-DIOXO-2,3-DIHYDRO-1H-INDEN-2-YL)QUINOLINE-6-SULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

XNE8O5W342

Created by admin on Sat Dec 16 15:38:56 GMT 2023 , Edited by admin on Sat Dec 16 15:38:56 GMT 2023

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PUBCHEM

146019529

Created by admin on Sat Dec 16 15:38:56 GMT 2023 , Edited by admin on Sat Dec 16 15:38:56 GMT 2023

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