copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfobenzene-1,3-dicarboxylic acid; 5-sulfocyclohexane-1,3-dicarboxylic acid; dihydrate

Systemtic Name: copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfobenzene-1,3-dicarboxylic acid; 5-sulfocyclohexane-1,3-dicarboxylic acid; dihydrate Openeye Name: copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfobenzene-1,3-dicarboxylic acid; 5-sulfocyclohexane-1,3-dicarboxylic acid; dihydrate CAS Name: copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfobenzene-1,3-dicarboxylic acid; 5-sulfocyclohexane-1,3-dicarboxylic acid; dihydrate IUPAC Name: copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfobenzene-1,3-dicarboxylic acid; 5-sulfocyclohexane-1,3-dicarboxylic acid; dihydrate Traditional Name: copper; piperidin-1-ide; 2H-pyridin-1-ide; 5-sulfocyclohexane-1,3-dicarboxylic acid; 5-sulfoisophthalic acid; dihydrate Formula: C66H118Cu5N10O16S2-10 MolecularWeight: 1689.56052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.C1C(CC(CC1C(=O)O)S(=O)(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu]

Isomeric SMILES

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.C1C(CC(CC1C(=O)O)S(=O)(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu]

InChI

InChI=1S/C8H12O7S.C8H6O7S.9C5H10N.C5H6N.5Cu.2H2O/c2*9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;10*1-2-4-6-5-3-1;;;;;;;/h4-6H,1-3H2,(H,9,10)(H,11,12)(H,13,14,15);1-3H,(H,9,10)(H,11,12)(H,13,14,15);9*1-5H2;1-4H,5H2;;;;;;2*1H2/q;;10*-1;;;;;;;