(2R,5R,6R)-5-[(R)-(2-bromophenyl)sulfanyl-cyclohexyl-methyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one

Systemtic Name: (2R,5R,6R)-5-[(R)-(2-bromophenyl)sulfanyl-cyclohexyl-methyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one Openeye Name: (2R,5R,6R)-5-[(R)-(2-bromophenyl)sulfanyl-cyclohexyl-methyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one CAS Name: (2R,5R,6R)-5-[(R)-[(2-bromophenyl)thio]-cyclohexylmethyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one IUPAC Name: (2R,5R,6R)-5-[(R)-(2-bromophenyl)sulfanyl-cyclohexylmethyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one Traditional Name: (2R,5R,6R)-5-[(R)-[(2-bromophenyl)thio]-cyclohexyl-methyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one Formula: C22H31BrO3S MolecularWeight: 455.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)OC(O1)C(C)(C)C)C(C2CCCCC2)SC3=CC=CC=C3Br

Isomeric SMILES

C[C@@H]1[C@H](C(=O)O[C@@H](O1)C(C)(C)C)[C@@H](C2CCCCC2)SC3=CC=CC=C3Br

InChI

InChI=1S/C22H31BrO3S/c1-14-18(20(24)26-21(25-14)22(2,3)4)19(15-10-6-5-7-11-15)27-17-13-9-8-12-16(17)23/h8-9,12-15,18-19,21H,5-7,10-11H2,1-4H3/t14-,18+,19-,21-/m1/s1