barium(2+); 2-(1,3-dithiol-2-ylidene)propanedioate; hydrate

Systemtic Name: barium(2+); 2-(1,3-dithiol-2-ylidene)propanedioate; hydrate Openeye Name: barium(2+); 2-(1,3-dithiol-2-ylidene)propanedioate; hydrate CAS Name: barium(2+); 2-(1,3-dithiol-2-ylidene)propanedioate; hydrate IUPAC Name: barium(2+); 2-(1,3-dithiol-2-ylidene)propanedioate; hydrate Traditional Name: barium(2+); 2-(1,3-dithiol-2-ylidene)malonate; hydrate Formula: C6H4BaO5S2 MolecularWeight: 357.54996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C(C(=O)[O-])C(=O)[O-])S1.O.[Ba+2]

Isomeric SMILES

C1=CSC(=C(C(=O)[O-])C(=O)[O-])S1.O.[Ba+2]

InChI

InChI=1S/C6H4O4S2.Ba.H2O/c7-4(8)3(5(9)10)6-11-1-2-12-6;;/h1-2H,(H,7,8)(H,9,10);;1H2/q;+2;/p-2