2,2-bis[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]octanedioate

Systemtic Name: 2,2-bis[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]octanedioate Openeye Name: 2,2-bis(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)octanedioate CAS Name: 2,2-bis(2,5-dioxo-3-sulfo-1-pyrrolidinyl)octanedioate IUPAC Name: 2,2-bis(2,5-dioxo-3-sulfopyrrolidin-1-yl)octanedioate Traditional Name: 2,2-bis(2,5-diketo-3-sulfo-pyrrolidino)suberate Formula: C16H18N2O14S2-2 MolecularWeight: 526.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(CCCCCC(=O)[O-])(C(=O)[O-])N2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C(CCCCCC(=O)[O-])(C(=O)[O-])N2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H20N2O14S2/c19-10-6-8(33(27,28)29)13(23)17(10)16(15(25)26,5-3-1-2-4-12(21)22)18-11(20)7-9(14(18)24)34(30,31)32/h8-9H,1-7H2,(H,21,22)(H,25,26)(H,27,28,29)(H,30,31,32)/p-2