bis[(1R,2S)-2-phenylcyclohexyl] (3S)-2,3-dimethyl-2-phenylselanyl-butanedioate

Systemtic Name: bis[(1R,2S)-2-phenylcyclohexyl] (3S)-2,3-dimethyl-2-phenylselanyl-butanedioate Openeye Name: bis[(1R,2S)-2-phenylcyclohexyl] (3S)-2,3-dimethyl-2-phenylselanyl-butanedioate CAS Name: (3S)-2,3-dimethyl-2-(phenylseleno)butanedioic acid bis[(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: bis[(1R,2S)-2-phenylcyclohexyl] (3S)-2,3-dimethyl-2-phenylselanylbutanedioate Traditional Name: (3S)-2,3-dimethyl-2-(phenylseleno)succinic acid bis[(1R,2S)-2-phenylcyclohexyl] ester Formula: C36H42O4Se MolecularWeight: 617.67628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1C2=CC=CC=C2)C(C)(C(=O)OC3CCCCC3C4=CC=CC=C4)[Se]C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)O[C@@H]1CCCC[C@H]1C2=CC=CC=C2)C(C)(C(=O)O[C@@H]3CCCC[C@H]3C4=CC=CC=C4)[Se]C5=CC=CC=C5

InChI

InChI=1S/C36H42O4Se/c1-26(34(37)39-32-24-14-12-22-30(32)27-16-6-3-7-17-27)36(2,41-29-20-10-5-11-21-29)35(38)40-33-25-15-13-23-31(33)28-18-8-4-9-19-28/h3-11,16-21,26,30-33H,12-15,22-25H2,1-2H3/t26-,30-,31-,32+,33+,36?/m0/s1