3-[[2-(methylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(methylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(methylamino)-3,4-dioxo-cyclobuten-1-yl]amino]propane-1-sulfonic acid CAS Name: 3-[[2-(methylamino)-3,4-dioxo-1-cyclobutenyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[3,4-diketo-2-(methylamino)cyclobuten-1-yl]amino]propane-1-sulfonic acid Formula: C8H12N2O5S MolecularWeight: 248.25628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NCCCS(=O)(=O)O

Isomeric SMILES

CNC1=C(C(=O)C1=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C8H12N2O5S/c1-9-5-6(8(12)7(5)11)10-3-2-4-16(13,14)15/h9-10H,2-4H2,1H3,(H,13,14,15)