4-((4-(Diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H32N2O6S2
Molecular Weight	544.683
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((4-(Diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate

Structure Search

SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=CC=C(C=C3S([O-])(=O)=O)S(O)(=O)=O

InChI

InChIKey=IKHKJYWPWWBSFZ-UHFFFAOYSA-N

InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C27H32N2O6S2
Molecular Weight	544.683
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:22:11 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:11 GMT 2025`
Record UNII	5F3Y5FN8YY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-((4-(Diethylamino)phenyl)-(2,4-disulfophenyl)methylidene)cyclohexa-2,5-dien-1-ylidene)-diethyl-azanium

Preferred Name

English

4-((4-(Diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate

Systematic Name

English

Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID8047008