2-oxidanylideneheptyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylideneheptyl 4-methylbenzenesulfonate Openeye Name: 2-oxoheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-oxoheptyl ester IUPAC Name: 2-oxoheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ketoheptyl ester Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H20O4S/c1-3-4-5-6-13(15)11-18-19(16,17)14-9-7-12(2)8-10-14/h7-10H,3-6,11H2,1-2H3