7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13N5O6S2.C6H15NO3
Molecular Weight	608.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Structure Search

SMILES

OCCN(CCO)CCO.CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(C=C3)\N=N\C4C(=O)NC(=O)NC4=O

InChI

InChIKey=AZHSURPXVDEIHG-PGCQSHBKSA-N

InChI=1S/C18H13N5O6S2.C6H15NO3/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;8-4-1-7(2-5-9)3-6-10/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);8-10H,1-6H2/b23-22+;

HIDE SMILES / InChI

Molecular Formula	C18H13N5O6S2
Molecular Weight	459.456
Charge	0
Count

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

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
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 `Sat Dec 16 20:17:37 GMT 2023` Edited by `admin` on `Sat Dec 16 20:17:37 GMT 2023`
Record UNII	GRN4VRE6GK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Common Name

English

7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol]

Common Name

English

7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID0070150