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IUPAC name:
2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidyl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)

Inventory

EC number:
265-314-4
EC name:
2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidyl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS number:
65036-46-6
CAS number:
65036-46-6
Synonyms
Names:
Identifier:
IUPAC name
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)
Identifier:
IUPAC name
[2-Hydroxy-N,N-bis(2-hydroxyethyl)-N ethanaminium][6-methyl-2-{4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl} -1,3-benzothiazole-7-sulfonate]
Identifier:
other: SMILES notation
Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(cc3)\N=N\C4C(=O)NC(=O)NC4=O.OCC[NH+](CCO)CCO
Identifier:
other: InChl
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+;
2-[bis(2-hydroxyethyl)amino]ethanol;6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid

Molecular and structural information

Molecular formula:
C18H13N5O6S2.C6H15NO3
Molecular weight:
ca. 808.65
SMILES notation:
CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)O.C(CO)N(CCO)CCO
InChl:
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
Structural formula:
Chemical structure

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