(2-oxidanylidene-1,2-diphenyl-ethyl) octane-1-sulfonate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) octane-1-sulfonate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (2-oxo-1,2-diphenylethyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid desyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O4S/c1-2-3-4-5-6-13-18-27(24,25)26-22(20-16-11-8-12-17-20)21(23)19-14-9-7-10-15-19/h7-12,14-17,22H,2-6,13,18H2,1H3