(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate
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![(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3d2d16c66f344dc4af04e30a27ef1475.png "(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate")
(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate
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CAS No:
54226-28-7
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Formula:
C22H18O5S
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Chemical Name:
(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate
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Synonyms:
54226-28-7;NSC295286;DTXSID30330680;NSC-295286;(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate;2'-Oxo-1,6-dihydrospiro[bicyclo[4.1.0]heptane-7,3'(2'H)-cyclohepta[b]furan]-8'-yl p-toluenesulfonate
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CAS No:
(2-oxospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-8-yl) 4-methylbenzenesulfonate Basic Attributes
394.4 g/mol
394.08749484 g/mol
295286
DTXSID30330680
Computed Properties
Molecular Weight:394.4
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:394.08749484
Monoisotopic Mass:394.08749484
Topological Polar Surface Area:78
Heavy Atom Count:28
Complexity:933
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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