4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-sulfinic acid

Systemtic Name: 4-oxidanylidene-5-propyl-cyclohexa-1,5-diene-1-sulfinic acid Openeye Name: 4-oxo-5-propyl-cyclohexa-1,5-diene-1-sulfinic acid CAS Name: 4-oxo-5-propyl-1-cyclohexa-1,5-dienesulfinic acid IUPAC Name: 4-oxo-5-propylcyclohexa-1,5-diene-1-sulfinic acid Traditional Name: 4-keto-5-propyl-cyclohexa-1,5-diene-1-sulfinic acid Formula: C9H12O3S MolecularWeight: 200.25478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CCC1=O)S(=O)O

Isomeric SMILES

CCCC1=CC(=CCC1=O)S(=O)O

InChI

InChI=1S/C9H12O3S/c1-2-3-7-6-8(13(11)12)4-5-9(7)10/h4,6H,2-3,5H2,1H3,(H,11,12)