Trisodium 8-((4-methyl-3-nitrobenzoyl)amino)naphthalene-1,3,5-trisulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H11N2O12S3.3Na
Molecular Weight	612.45
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Trisodium 8-((4-methyl-3-nitrobenzoyl)amino)naphthalene-1,3,5-trisulfonate

Structure Search

SMILES

[Na+].[Na+].[Na+].CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O

InChI

InChIKey=YCCFZXJJUOXAGV-UHFFFAOYSA-K

InChI=1S/C18H14N2O12S3.3Na/c1-9-2-3-10(6-14(9)20(22)23)18(21)19-13-4-5-15(34(27,28)29)12-7-11(33(24,25)26)8-16(17(12)13)35(30,31)32;;;/h2-8H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula	C18H11N2O12S3
Molecular Weight	543.481
Charge	-3
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:17:27 GMT 2025` Edited by `admin` on `Tue Apr 01 19:17:27 GMT 2025`
Record UNII	MS2MQ3GJE8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3,5-Naphthalenetrisulfonic acid, 8-[(4-methyl-3-nitrobenzoyl)amino]-, sodium salt (1:3)

Preferred Name

English

Trisodium 8-((4-methyl-3-nitrobenzoyl)amino)naphthalene-1,3,5-trisulfonate

Common Name

English

1,3,5-Naphthalenetrisulfonic acid, 8-[(4-methyl-3-nitrobenzoyl)amino]-, trisodium salt

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70219102