[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C26H28O7S MolecularWeight: 484.56132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C(C)C

InChI

InChI=1S/C26H28O7S/c1-15(2)18-10-8-16(3)12-21(18)33-24(27)14-32-26(29)17-9-11-20-23(13-17)34(30,31)22-7-5-4-6-19(22)25(20)28/h4-7,9,11,13,15-16,18,21H,8,10,12,14H2,1-3H3