cyclohexyl (9E)-9-(2-cyclohexylperoxycarbonylthioxanthen-9-ylidene)thioxanthene-2-carboxylate

Systemtic Name: cyclohexyl (9E)-9-(2-cyclohexylperoxycarbonylthioxanthen-9-ylidene)thioxanthene-2-carboxylate Openeye Name: cyclohexyl (9E)-9-(2-cyclohexylperoxycarbonylthioxanthen-9-ylidene)thioxanthene-2-carboxylate CAS Name: (9E)-9-[2-[cyclohexyldioxy(oxo)methyl]-9-thioxanthenylidene]-2-thioxanthenecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (9E)-9-(2-cyclohexylperoxycarbonylthioxanthen-9-ylidene)thioxanthene-2-carboxylate Traditional Name: (9E)-9-(2-cyclohexylperoxycarbonylthioxanthen-9-ylidene)thioxanthene-2-carboxylic acid cyclohexyl ester Formula: C40H36O5S2 MolecularWeight: 660.84084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=C5C6=CC=CC=C6SC7=C5C=C(C=C7)C(=O)OOC8CCCCC8

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC\3=C(C=C2)SC4=CC=CC=C4/C3=C\5/C6=CC=CC=C6SC7=C5C=C(C=C7)C(=O)OOC8CCCCC8

InChI

InChI=1S/C40H36O5S2/c41-39(43-27-11-3-1-4-12-27)25-19-21-35-31(23-25)37(29-15-7-9-17-33(29)46-35)38-30-16-8-10-18-34(30)47-36-22-20-26(24-32(36)38)40(42)45-44-28-13-5-2-6-14-28/h7-10,15-24,27-28H,1-6,11-14H2/b38-37+