7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13N5O6S2
Molecular Weight	459.456
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-

Structure Search

SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)\N=N\C4C(=O)NC(=O)NC4=O)S(O)(=O)=O

InChI

InChIKey=APIDSQKETXQPQW-GHVJWSGMSA-N

InChI=1S/C18H13N5O6S2/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/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:49 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:49 GMT 2025`
Record UNII	TKL3B3QB9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[4-[2-(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-7-benzothiazolesulfonic acid

Preferred Name

English

7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-

Common Name

English

7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-

Systematic Name

English

Code System Code Type Description

CAS

37936-41-7