[3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [3-(4-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-2-methyl-4-oxochromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [3-(4-bromophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C30H17BrO8S MolecularWeight: 617.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)OC6=CC=C(C=C6)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)OC6=CC=C(C=C6)Br

InChI

InChI=1S/C30H17BrO8S/c1-16-29(38-19-9-7-18(31)8-10-19)28(33)21-13-11-20(15-24(21)37-16)39-30(34)17-6-12-23-26(14-17)40(35,36)25-5-3-2-4-22(25)27(23)32/h2-15H,1H3