2,4-diisocyanobutane-1-sulfonic acid

Systemtic Name: 2,4-diisocyanobutane-1-sulfonic acid Openeye Name: 2,4-diisocyanobutane-1-sulfonic acid CAS Name: 2,4-diisocyano-1-butanesulfonic acid IUPAC Name: 2,4-diisocyanobutane-1-sulfonic acid Traditional Name: 2,4-diisocyanobutane-1-sulfonic acid Formula: C6H8N2O3S MolecularWeight: 188.20432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCC(CS(=O)(=O)O)[N+]#[C-]

Isomeric SMILES

[C-]#[N+]CCC(CS(=O)(=O)O)[N+]#[C-]

InChI

InChI=1S/C6H8N2O3S/c1-7-4-3-6(8-2)5-12(9,10)11/h6H,3-5H2,(H,9,10,11)