4-(butoxymethyl)-5,5-dimethyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-(butoxymethyl)-5,5-dimethyl-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-(butoxymethyl)-5,5-dimethyl-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-(butoxymethyl)-5,5-dimethyl-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-(butoxymethyl)-5,5-dimethyl-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 4-(butoxymethyl)-6-keto-5,5-dimethyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C13H20O5S MolecularWeight: 288.3599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC=C(C(=O)C1(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCOCC1=CC=C(C(=O)C1(C)C)S(=O)(=O)O

InChI

InChI=1S/C13H20O5S/c1-4-5-8-18-9-10-6-7-11(19(15,16)17)12(14)13(10,2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,16,17)