FP-21399 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C42H28Cl4N6O18S4
Molecular Weight	1174.773
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\N=N\C2=C(O)C3=C(NC(=O)C4=C(Cl)C(Cl)=CC=C4)C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O)=C(OC)C=C1\N=N\C5=C(O)C6=C(C=C(C=C6NC(=O)C7=C(Cl)C=C(Cl)C=C7)S(O)(=O)=O)C=C5S(O)(=O)=O

InChI

InChIKey=KBUCPVDJZWMTHC-BILXIUEVSA-N

InChI=1S/C42H28Cl4N6O18S4/c1-69-30-16-27(50-52-38-33(74(66,67)68)11-18-9-21(72(60,61)62)14-29(35(18)40(38)54)48-42(56)23-4-3-5-24(44)36(23)46)31(70-2)15-26(30)49-51-37-32(73(63,64)65)10-17-8-20(71(57,58)59)13-28(34(17)39(37)53)47-41(55)22-7-6-19(43)12-25(22)45/h3-16,53-54H,1-2H3,(H,47,55)(H,48,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/b51-49+,52-50+

HIDE SMILES / InChI

Molecular Formula	C42H28Cl4N6O18S4
Molecular Weight	1174.773
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:57:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:57:52 UTC 2023`
Record UNII	549K0MX8UN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FP-21399 FREE ACID

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 5-((2,3-DICHLOROBENZOYL)AMINO)-3-(2-(4-(2-(8-((2,4-DICHLOROBENZOYL)AMINO)-1-HYDROXY-3,6-DISULFO-2-NAPHTHALENYL)DIAZENYL)-2,5-DIMETHOXYPHENYL)DIAZENYL)-4-HYDROXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

549K0MX8UN

Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023

PRIMARY

CAS

761377-68-8

Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023

PRIMARY

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FP-21399

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