3,6-bis(Diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethylxanthylium

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H34N2O7S2
Molecular Weight	586.719
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,6-bis(Diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethylxanthylium

Structure Search

SMILES

CCN(CC)C1=CC2=[O+]C3=C(C=C(C)C(=C3)N(CC)CC)C(=C2C=C1C)C4=C(C=C(C=C4)S(O)(=O)=O)S([O-])(=O)=O

InChI

InChIKey=FNZDMJUSJBQBQL-UHFFFAOYSA-N

InChI=1S/C29H34N2O7S2/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37)

HIDE SMILES / InChI

Molecular Formula	C29H34N2O7S2
Molecular Weight	586.719
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 `Wed Apr 02 19:54:51 GMT 2025` Edited by `admin` on `Wed Apr 02 19:54:51 GMT 2025`
Record UNII	Q8GJ5M5UYL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,6-bis(Diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethylxanthylium

Systematic Name

English

Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-2,7-dimethyl-, inner salt

Preferred Name

English

Code System Code Type Description

FDA UNII

Q8GJ5M5UYL

Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025

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CAS

866474-19-3

Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025

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PUBCHEM

121232743

Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025

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