Amberlite Irp69

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,4-bis(ethenyl)benzene;styrene;tetramethylazanium;chlorite

2.1.2 InChI

InChI=1S/C10H10.C8H8.C4H12N.ClHO2/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;1-5(2,3)4;2-1-3/h3-8H,1-2H2;2-7H,1H2;1-4H3;(H,2,3)/q;;+1;/p-1

2.1.3 InChI Key

HZNJHBIQTAJXKP-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C[N+](C)(C)C.C=CC1=CC=CC=C1.C=CC1=CC=C(C=C1)C=C.[O-]Cl=O

2.2 Create Date

2007-07-16

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₀ClNO₂
Molecular Weight	375.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	375.1965069 g/mol
Monoisotopic Mass	375.1965069 g/mol
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

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