(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C28H16O7S MolecularWeight: 496.48744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C28H16O7S/c29-25-14-18(26-19-6-2-1-5-16(19)10-12-22(26)35-25)15-34-28(31)17-9-11-21-24(13-17)36(32,33)23-8-4-3-7-20(23)27(21)30/h1-14H,15H2