4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; propane-1-sulfonic acid

Systemtic Name: 4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; propane-1-sulfonic acid Openeye Name: 4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; propane-1-sulfonic acid CAS Name: 4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; 1-propanesulfonic acid IUPAC Name: 4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; propane-1-sulfonic acid Traditional Name: 4,5-disulfonylcyclohexa-2,6-diene-1,2-dicarbonitrile; propane-1-sulfonic acid Formula: C11H10N2O7S3 MolecularWeight: 378.4013

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)O.C1=C(C(=CC(=S(=O)=O)C1=S(=O)=O)C#N)C#N

Isomeric SMILES

CCCS(=O)(=O)O.C1=C(C(=CC(=S(=O)=O)C1=S(=O)=O)C#N)C#N

InChI

InChI=1S/C8H2N2O4S2.C3H8O3S/c9-3-5-1-7(15(11)12)8(16(13)14)2-6(5)4-10;1-2-3-7(4,5)6/h1-2H;2-3H2,1H3,(H,4,5,6)