dicalcium 5-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-4-cyano-3-(2-oxidanidyl-2-oxidanylidene-ethyl)thiophene-2-carboxylate

Systemtic Name: dicalcium 5-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-4-cyano-3-(2-oxidanidyl-2-oxidanylidene-ethyl)thiophene-2-carboxylate Openeye Name: dicalcium 5-[bis(2-oxido-2-oxo-ethyl)amino]-4-cyano-3-(2-oxido-2-oxo-ethyl)thiophene-2-carboxylate CAS Name: dicalcium 5-[bis(2-oxido-2-oxoethyl)amino]-4-cyano-3-(2-oxido-2-oxoethyl)-2-thiophenecarboxylate IUPAC Name: dicalcium 5-[bis(2-oxido-2-oxoethyl)amino]-4-cyano-3-(2-oxido-2-oxoethyl)thiophene-2-carboxylate Traditional Name: dicalcium 5-[bis(2-keto-2-oxido-ethyl)amino]-4-cyano-3-(2-keto-2-oxido-ethyl)-2-thenoate Formula: C12H6Ca2N2O8S MolecularWeight: 418.40564

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2]

Isomeric SMILES

C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/C12H10N2O8S.2Ca/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4