4-heptanoyloxybenzenesulfonic acid

Systemtic Name: 4-heptanoyloxybenzenesulfonic acid Openeye Name: 4-heptanoyloxybenzenesulfonic acid CAS Name: 4-(1-oxoheptoxy)benzenesulfonic acid IUPAC Name: 4-heptanoyloxybenzenesulfonic acid Traditional Name: 4-enanthyloxybesylic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H18O5S/c1-2-3-4-5-6-13(14)18-11-7-9-12(10-8-11)19(15,16)17/h7-10H,2-6H2,1H3,(H,15,16,17)