2,2-bis(sulfanyl)butanedioate; gadolinium(3+)

Systemtic Name: 2,2-bis(sulfanyl)butanedioate; gadolinium(3+) Openeye Name: 2,2-bis(sulfanyl)butanedioate; gadolinium(3+) CAS Name: 2,2-dimercaptobutanedioate; gadolinium(3+) IUPAC Name: 2,2-bis(sulfanyl)butanedioate; gadolinium(3+) Traditional Name: 2,2-dimercaptosuccinate; gadolinium(3+) Formula: C12H12Gd2O12S6 MolecularWeight: 855.10648

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(C(=O)[O-])(S)S.C(C(=O)[O-])C(C(=O)[O-])(S)S.C(C(=O)[O-])C(C(=O)[O-])(S)S.[Gd+3].[Gd+3]

Isomeric SMILES

C(C(=O)[O-])C(C(=O)[O-])(S)S.C(C(=O)[O-])C(C(=O)[O-])(S)S.C(C(=O)[O-])C(C(=O)[O-])(S)S.[Gd+3].[Gd+3]

InChI

InChI=1S/3C4H6O4S2.2Gd/c3*5-2(6)1-4(9,10)3(7)8;;/h3*9-10H,1H2,(H,5,6)(H,7,8);;/q;;;2*+3/p-6