dibutyl 9-oxidanylidenethioxanthene-3,4-dicarboxylate

Systemtic Name: dibutyl 9-oxidanylidenethioxanthene-3,4-dicarboxylate Openeye Name: dibutyl 9-oxothioxanthene-3,4-dicarboxylate CAS Name: 9-oxothioxanthene-3,4-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 9-oxothioxanthene-3,4-dicarboxylate Traditional Name: 9-ketothioxanthene-3,4-dicarboxylic acid dibutyl ester Formula: C23H24O5S MolecularWeight: 412.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3S2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3S2)C(=O)OCCCC

InChI

InChI=1S/C23H24O5S/c1-3-5-13-27-22(25)16-11-12-17-20(24)15-9-7-8-10-18(15)29-21(17)19(16)23(26)28-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3