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Home > Indoles and Oxindole > 1078162-96-5
1078162-96-5 | 1,2,3,3-tetramethyl-3H-benzo[g]indol-1-ium 4-methylbenzene-1-sulfonate
CAS No: 1078162-96-5 Catalog No: AG019LGZ MDL No:MFCD09971430
Product Description
Catalog Number:
AG019LGZ
Chemical Name:
1,2,3,3-tetramethyl-3H-benzo[g]indol-1-ium 4-methylbenzene-1-sulfonate
CAS Number:
1078162-96-5
Molecular Formula:
C23H25NO3S
Molecular Weight:
395.5145
MDL Number:
MFCD09971430
IUPAC Name:
4-methylbenzenesulfonate;1,2,3,3-tetramethylbenzo[g]indol-1-ium
InChI:
InChI=1S/C16H18N.C7H8O3S/c1-11-16(2,3)14-10-9-12-7-5-6-8-13(12)15(14)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
InChI Key:
DSWRUXUPGIRLBE-UHFFFAOYSA-M
SMILES:
C[N+]1=C(C)C(c2c1c1ccccc1cc2)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.156g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.517g/mol
Monoisotopic Mass:
395.156g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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