Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H33ClN8O11S3
Molecular Weight	909.364
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt

Structure Search

SMILES

CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C3N=C4C=CC(NC5=CC=C(NC6=NC(OC)=NC(Cl)=N6)C=C5S(O)(=O)=O)=CC4=[N+](C7=CC(=C(OC)C=C7)S([O-])(=O)=O)C3=C2

InChI

InChIKey=UOEOXEFTLMDOED-UHFFFAOYSA-N

InChI=1S/C38H33ClN8O11S3/c1-4-46(21-22-6-5-7-27(16-22)59(48,49)50)25-10-14-29-32(19-25)47(26-11-15-33(57-2)35(20-26)61(54,55)56)31-17-23(8-12-28(31)42-29)40-30-13-9-24(18-34(30)60(51,52)53)41-37-43-36(39)44-38(45-37)58-3/h5-20H,4,21H2,1-3H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56)

HIDE SMILES / InChI

Molecular Formula	C38H33ClN8O11S3
Molecular Weight	909.364
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:41:26 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:26 GMT 2025`
Record UNII	XL57H7C6JJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, inner salt

Common Name

English

Phenazinium, 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-methoxy-3-sulfophenyl)-, hydroxide, inner salt

Preferred Name

English

Code System Code Type Description

CAS

55772-12-8