disodium 1-[12-[2,5-bis(oxidanylidene)-3-sulfonato-pyrrol-1-yl]oxy-4,4,5,5,6,6,7,7,8,8,9,9-dodecakis(fluoranyl)-12-oxidanylidene-dodecanoyl]oxy-2,5-bis(oxidanylidene)pyrrole-3-sulfonate

Systemtic Name: disodium 1-[12-[2,5-bis(oxidanylidene)-3-sulfonato-pyrrol-1-yl]oxy-4,4,5,5,6,6,7,7,8,8,9,9-dodecakis(fluoranyl)-12-oxidanylidene-dodecanoyl]oxy-2,5-bis(oxidanylidene)pyrrole-3-sulfonate Openeye Name: disodium 1-[12-(2,5-dioxo-3-sulfonato-pyrrol-1-yl)oxy-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-oxo-dodecanoyl]oxy-2,5-dioxo-pyrrole-3-sulfonate CAS Name: disodium 1-[12-[(2,5-dioxo-3-sulfonato-1-pyrrolyl)oxy]-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,12-dioxododecoxy]-2,5-dioxo-3-pyrrolesulfonate IUPAC Name: disodium 1-[12-(2,5-dioxo-3-sulfonatopyrrol-1-yl)oxy-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-oxododecanoyl]oxy-2,5-dioxopyrrole-3-sulfonate Traditional Name: disodium 1-[12-[(2,5-diketo-3-sulfonato-3-pyrrolin-1-yl)oxy]-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-12-keto-dodecanoyl]oxy-2,5-diketo-3-pyrroline-3-sulfonate Formula: C20H10F12N2Na2O14S2 MolecularWeight: 840.388778

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(CCC(=O)ON2C(=O)C=C(C2=O)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(CCC(=O)ON2C(=O)C=C(C2=O)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H12F12N2O14S2.2Na/c21-15(22,3-1-11(37)47-33-9(35)5-7(13(33)39)49(41,42)43)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)4-2-12(38)48-34-10(36)6-8(14(34)40)50(44,45)46;;/h5-6H,1-4H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2