6,8-bis[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-2-sulfanyl-octanoic acid

Systemtic Name: 6,8-bis[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-2-sulfanyl-octanoic acid Openeye Name: 6,8-bis(1-methyl-2,5-dioxo-pyrrolidin-1-ium-1-yl)-2-sulfanyl-octanoic acid CAS Name: 2-mercapto-6,8-bis(1-methyl-2,5-dioxo-1-pyrrolidin-1-iumyl)octanoic acid IUPAC Name: 6,8-bis(1-methyl-2,5-dioxopyrrolidin-1-ium-1-yl)-2-sulfanyloctanoic acid Traditional Name: 6,8-bis(2,5-diketo-1-methyl-pyrrolidin-1-ium-1-yl)-2-mercapto-caprylic acid Formula: C18H28N2O6S+2 MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CCC1=O)CCC(CCCC(C(=O)O)S)[N+]2(C(=O)CCC2=O)C

Isomeric SMILES

C[N+]1(C(=O)CCC1=O)CCC(CCCC(C(=O)O)S)[N+]2(C(=O)CCC2=O)C

InChI

InChI=1S/C18H26N2O6S/c1-19(14(21)6-7-15(19)22)11-10-12(4-3-5-13(27)18(25)26)20(2)16(23)8-9-17(20)24/h12-13H,3-11H2,1-2H3/p+2