7-methoxy-7-oxidanylidene-hept-4-yne-1-sulfonic acid

Systemtic Name: 7-methoxy-7-oxidanylidene-hept-4-yne-1-sulfonic acid Openeye Name: 7-methoxy-7-oxo-hept-4-yne-1-sulfonic acid CAS Name: 7-methoxy-7-oxo-4-heptyne-1-sulfonic acid IUPAC Name: 7-methoxy-7-oxohept-4-yne-1-sulfonic acid Traditional Name: 7-keto-7-methoxy-hept-4-yne-1-sulfonic acid Formula: C8H12O5S MolecularWeight: 220.24288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC#CCCCS(=O)(=O)O

Isomeric SMILES

COC(=O)CC#CCCCS(=O)(=O)O

InChI

InChI=1S/C8H12O5S/c1-13-8(9)6-4-2-3-5-7-14(10,11)12/h3,5-7H2,1H3,(H,10,11,12)