7,7'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bisnaphthalene-1,3,6-trisulphonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C54H40Cl2N18O26S8
Molecular Weight	1684.426
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 7,7'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bisnaphthalene-1,3,6-trisulphonic acid

Structure Search

SMILES

NC(=O)NC1=CC(NC2=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(Cl)=NC(NC6=CC=C(\N=N\C7=CC8=C(C=C(C=C8C=C7S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(NC(N)=O)=C6)=N5)C=C4S(O)(=O)=O)C(=C3)S(O)(=O)=O)=NC(Cl)=N2)=CC=C1\N=N\C9=CC%10=C(C=C(C=C%10C=C9S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=JVHQMRKDOHWFRC-RDZSOMKUSA-N

InChI=1S/C54H40Cl2N18O26S8/c55-47-65-51(59-27-7-9-35(37(15-27)63-49(57)75)71-73-39-21-33-25(13-45(39)107(95,96)97)11-31(101(77,78)79)19-43(33)105(89,90)91)69-53(67-47)61-29-5-3-23(41(17-29)103(83,84)85)1-2-24-4-6-30(18-42(24)104(86,87)88)62-54-68-48(56)66-52(70-54)60-28-8-10-36(38(16-28)64-50(58)76)72-74-40-22-34-26(14-46(40)108(98,99)100)12-32(102(80,81)82)20-44(34)106(92,93)94/h1-22H,(H3,57,63,75)(H3,58,64,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,59,61,65,67,69)(H2,60,62,66,68,70)/b2-1+,73-71+,74-72+

HIDE SMILES / InChI

Molecular Formula	C54H40Cl2N18O26S8
Molecular Weight	1684.426
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	5
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:17:40 GMT 2023` Edited by `admin` on `Sat Dec 16 12:17:40 GMT 2023`
Record UNII	JS359A49DS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7,7'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bisnaphthalene-1,3,6-trisulphonic acid

Systematic Name

English

1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis-

Systematic Name

English

Code System Code Type Description

FDA UNII

JS359A49DS

Created by admin on Sat Dec 16 12:17:40 GMT 2023 , Edited by admin on Sat Dec 16 12:17:40 GMT 2023

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EPA CompTox

DTXSID00240282

Created by admin on Sat Dec 16 12:17:40 GMT 2023 , Edited by admin on Sat Dec 16 12:17:40 GMT 2023

PRIMARY

ECHA (EC/EINECS)

301-570-6

Created by admin on Sat Dec 16 12:17:40 GMT 2023 , Edited by admin on Sat Dec 16 12:17:40 GMT 2023

PRIMARY

CAS

94022-71-6

Created by admin on Sat Dec 16 12:17:40 GMT 2023 , Edited by admin on Sat Dec 16 12:17:40 GMT 2023

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