[3-(4-bromanylphenoxy)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [3-(4-bromanylphenoxy)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [3-(4-bromophenoxy)-2,8-dimethyl-4-oxo-chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [3-(4-bromophenoxy)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-2,8-dimethyl-4-oxochromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [3-(4-bromophenoxy)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C31H19BrO8S MolecularWeight: 631.44676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C)OC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C)OC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C31H19BrO8S/c1-16-24(14-13-23-28(34)30(17(2)38-29(16)23)39-20-10-8-19(32)9-11-20)40-31(35)18-7-12-22-26(15-18)41(36,37)25-6-4-3-5-21(25)27(22)33/h3-15H,1-2H3