 Home > Encyclopedia > 2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane

2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane

2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane structure

CAS No:
32861-31-7
Formula:
C22H23ClNO7S+
Chemical Name:
2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane
Synonyms:
NSC153591;32861-31-7;DTXSID60329749;NSC-153591

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2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane Basic Attributes

Molecular Weight：

480.9 g/mol

Exact Mass：

480.0883759 g/mol

NSC Number：

153591

DSSTox ID：

DTXSID60329749

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:480.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:480.0883759
Monoisotopic Mass:480.0883759
Topological Polar Surface Area:133
Heavy Atom Count:32
Formal Charge:1
Complexity:686
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl 4-methylbenzenesulfonate;trihydroxy(oxo)-λ5-chlorane

Basic Attributes
Characteristics
Computed Properties

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