octyl 9-oxidanylidenethioxanthene-1-carboxylate

Systemtic Name: octyl 9-oxidanylidenethioxanthene-1-carboxylate Openeye Name: octyl 9-oxothioxanthene-1-carboxylate CAS Name: 9-oxo-1-thioxanthenecarboxylic acid octyl ester IUPAC Name: octyl 9-oxothioxanthene-1-carboxylate Traditional Name: 9-ketothioxanthene-1-carboxylic acid octyl ester Formula: C22H24O3S MolecularWeight: 368.48916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCOC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H24O3S/c1-2-3-4-5-6-9-15-25-22(24)17-12-10-14-19-20(17)21(23)16-11-7-8-13-18(16)26-19/h7-8,10-14H,2-6,9,15H2,1H3