4-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]-1-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]-1-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]cyclohexane-1-carboxylate Openeye Name: 4-[(2,5-dioxopyrrol-1-yl)methyl]-1-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)cyclohexanecarboxylate CAS Name: 4-[(2,5-dioxo-1-pyrrolyl)methyl]-1-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-1-cyclohexanecarboxylate IUPAC Name: 4-[(2,5-dioxopyrrol-1-yl)methyl]-1-(2,5-dioxo-3-sulfopyrrolidin-1-yl)cyclohexane-1-carboxylate Traditional Name: 1-(2,5-diketo-3-sulfo-pyrrolidino)-4-(maleimidomethyl)cyclohexanecarboxylate Formula: C16H17N2O9S- MolecularWeight: 413.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C=CC2=O)(C(=O)[O-])N3C(=O)CC(C3=O)S(=O)(=O)O

Isomeric SMILES

C1CC(CCC1CN2C(=O)C=CC2=O)(C(=O)[O-])N3C(=O)CC(C3=O)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O9S/c19-11-1-2-12(20)17(11)8-9-3-5-16(6-4-9,15(23)24)18-13(21)7-10(14(18)22)28(25,26)27/h1-2,9-10H,3-8H2,(H,23,24)(H,25,26,27)/p-1