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Reference substances

Reference substances

IUPAC name:
1,2,3,3-Tetramethyl-3H-benzo[e]indolium 4-methylbenzenesulfonate

Inventory

CAS number:
141914-99-0
Synonyms
Names:
1,1,2,3-TETRAMETHYL-1H-BENZ[E]INDOLIUM 4-METHYLBENZENESULFONATE
1H-Benz[e]indolium, 1,1,2,3-tetramethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
4-methylbenzenesulfonate; 1,1,2,3-tetramethylbenzo[e]indol-3-ium

Molecular and structural information

Molecular formula:
C23H25NO3S
Molecular weight:
ca. 395.53
SMILES notation:
Cc1ccc(cc1)S(=O)(=O)[O-].CC1=[N+](c2ccc3ccccc3c2C1(C)C)C
InChl:
InChI=1S/C16H18N.C7H8O3S/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
Structural formula:
Chemical structure

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