disodium 6-(4-oxidanylidene-1,3-thiazolidin-2-yl)hexanoate pentahydrate

Systemtic Name: disodium 6-(4-oxidanylidene-1,3-thiazolidin-2-yl)hexanoate pentahydrate Openeye Name: disodium 6-(4-oxothiazolidin-2-yl)hexanoate pentahydrate CAS Name: disodium 6-(4-oxo-2-thiazolidinyl)hexanoate pentahydrate IUPAC Name: disodium 6-(4-oxo-1,3-thiazolidin-2-yl)hexanoate pentahydrate Traditional Name: disodium 6-(4-ketothiazolidin-2-yl)hexanoate pentahydrate Formula: C18H38N2Na2O11S2 MolecularWeight: 568.61066

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(S1)CCCCCC(=O)[O-].C1C(=O)NC(S1)CCCCCC(=O)[O-].O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

C1C(=O)NC(S1)CCCCCC(=O)[O-].C1C(=O)NC(S1)CCCCCC(=O)[O-].O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C9H15NO3S.2Na.5H2O/c2*11-7-6-14-8(10-7)4-2-1-3-5-9(12)13;;;;;;;/h2*8H,1-6H2,(H,10,11)(H,12,13);;;5*1H2/q;;2*+1;;;;;/p-2