dodecaazanium carboxylatooxymethanethioate

Systemtic Name: dodecaazanium carboxylatooxymethanethioate Openeye Name: dodecaammonium carboxylatooxymethanethioate CAS Name: dodecaammonium carboxylatooxymethanethioate IUPAC Name: dodecaazanium carboxylatooxymethanethioate Traditional Name: dodecaammonium carboxylatooxythioformate Formula: C12H48N12O24S6 MolecularWeight: 936.96552

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].C(=O)([O-])OC(=S)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/6C2H2O4S.12H3N/c6*3-1(4)6-2(5)7;;;;;;;;;;;;/h6*(H,3,4)(H,5,7);12*1H3