[3-(3-ethanoylphenyl)phenyl] pentane-1-sulfonate

Systemtic Name: [3-(3-ethanoylphenyl)phenyl] pentane-1-sulfonate Openeye Name: [3-(3-acetylphenyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(3-acetylphenyl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(3-acetylphenyl)phenyl] ester Formula: C19H22O4S MolecularWeight: 346.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)C

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)C

InChI

InChI=1S/C19H22O4S/c1-3-4-5-12-24(21,22)23-19-11-7-10-18(14-19)17-9-6-8-16(13-17)15(2)20/h6-11,13-14H,3-5,12H2,1-2H3