PENTASODIUM 7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFONATO-1-ANTHRYL)AMINO)-2-SULFONATOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H21ClN9O17S5.5Na
Molecular Weight	1198.361
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PENTASODIUM 7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFONATO-1-ANTHRYL)AMINO)-2-SULFONATOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].NC1=C(C=C(NC2=CC(NC3=NC(NC4=CC=C(C=C4)\N=N\C5=CC6=C(C=C(C=C6S([O-])(=O)=O)S([O-])(=O)=O)C(=C5)S([O-])(=O)=O)=NC(Cl)=N3)=C(C=C2)S([O-])(=O)=O)C7=C1C(=O)C8=CC=CC=C8C7=O)S([O-])(=O)=O

InChI

InChIKey=KFRWQMRFNAXWAV-MPVGBDGQSA-I

InChI=1S/C39H26ClN9O17S5.5Na/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51;;;;;/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5/b49-48+;;;;;

HIDE SMILES / InChI

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

Molecular Formula	C39H21ClN9O17S5
Molecular Weight	1083.412
Charge	-5
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 `Wed Apr 02 10:58:34 GMT 2025` Edited by `admin` on `Wed Apr 02 10:58:34 GMT 2025`
Record UNII	V4E4AAB6XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3,5-NAPHTHALENETRISULFONIC ACID, 7-(2-(4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRACENYL)AMINO)-2-SULFOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)DIAZENYL)-, SODIUM SALT (1:5)

Preferred Name

English

PENTASODIUM 7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFONATO-1-ANTHRYL)AMINO)-2-SULFONATOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONATE

Common Name

English

Code System Code Type Description

CAS

94159-05-4