3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid
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![3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/220c1b1574834eb8a60574fa462f4089.png "3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid")
3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid
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CAS No:
143392-33-0
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Formula:
C18H16N2O14S2
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Chemical Name:
3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid
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Synonyms:
2-nitro-4-sulfophenyl adipate;2-NSPA;143392-33-0;2-Nspa;Bis(2-nitro-4-sulfophenyl) hexanedioate;2-Nitro-4-sulfophenyl adipate;DTXSID80931863;3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid;Hexanedioic acid, bis(2-nitro-4-sulfophenyl) ester;4,4'-[(1,6-Dioxohexane-1,6-diyl)bis(oxy)]bis(3-nitrobenzene-1-sulfonic acid)
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CAS No:
3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid Basic Attributes
548.5 g/mol
548.00429554 g/mol
Computed Properties
Molecular Weight:548.5
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:548.00429554
Monoisotopic Mass:548.00429554
Topological Polar Surface Area:270
Heavy Atom Count:36
Complexity:954
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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