(3R,4R)-3,4-bis(oxidanyl)-4-phenyl-1-(1-phenylsulfanylcyclohexyl)butan-1-one

Systemtic Name: (3R,4R)-3,4-bis(oxidanyl)-4-phenyl-1-(1-phenylsulfanylcyclohexyl)butan-1-one Openeye Name: (3R,4R)-3,4-dihydroxy-4-phenyl-1-(1-phenylsulfanylcyclohexyl)butan-1-one CAS Name: (3R,4R)-3,4-dihydroxy-4-phenyl-1-[1-(phenylthio)cyclohexyl]-1-butanone IUPAC Name: (3R,4R)-3,4-dihydroxy-4-phenyl-1-(1-phenylsulfanylcyclohexyl)butan-1-one Traditional Name: (3R,4R)-3,4-dihydroxy-4-phenyl-1-[1-(phenylthio)cyclohexyl]butan-1-one Formula: C22H26O3S MolecularWeight: 370.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)CC(C(C2=CC=CC=C2)O)O)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C(=O)C[C@H]([C@@H](C2=CC=CC=C2)O)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H26O3S/c23-19(21(25)17-10-4-1-5-11-17)16-20(24)22(14-8-3-9-15-22)26-18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21,23,25H,3,8-9,14-16H2/t19-,21-/m1/s1