disodium C-allyl sulphonatosuccinate

1. Names and Identifiers

1.2 Synonyms: Butanedioic acid, 2-sulfo-, 1(or 4)-2-propen-1-yl ester, sodium salt (1:2); Butanedioic acid, sulfo-, C-2-propenyl ester, disodium salt; EINECS 295-117-9; Succinic acid, sulfo-, allyl ester, disodium salt;

1.7 Inchi: InChI=1S/C7H10O7S.2Na/c1-2-3-4(6(8)9)5(7(10)11)15(12,13)14;;/h2,4-5H,1,3H2,(H,8,9)(H,10,11)(H,12,13,14);;/q;2*+1

2. Computed Properties

Molecular Weight：284.20g/mol
Molecular Formula：C₇H₁₀Na₂O₇S+₂
Compound Is Canonicalized：True
XLogP3-AA：283.99426239
Monoisotopic Mass：283.99426239
Complexity：363
Rotatable Bond Count：6
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：137
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：2
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：3
CACTVS Substructure Key Fingerprint：AAADccBgODBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAADQCEwACACAAAAoKIACDSCHBAAAAgAAAIAAEAAAgAABIAAQAAQAAEgAAAAADLAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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4. Realated Product Infomation

1. Names and Identifiers