1-[(4R,6S)-5,5-bis(fluoranyl)-4-methyl-6-phenylmethoxy-cyclohexen-1-yl]sulfanyl-4-methyl-benzene

Systemtic Name: 1-[(4R,6S)-5,5-bis(fluoranyl)-4-methyl-6-phenylmethoxy-cyclohexen-1-yl]sulfanyl-4-methyl-benzene Openeye Name: 1-[(4R,6S)-6-benzyloxy-5,5-difluoro-4-methyl-cyclohexen-1-yl]sulfanyl-4-methyl-benzene CAS Name: 1-[[(4R,6S)-5,5-difluoro-4-methyl-6-phenylmethoxy-1-cyclohexenyl]thio]-4-methylbenzene IUPAC Name: 1-[(4R,6S)-5,5-difluoro-4-methyl-6-phenylmethoxycyclohexen-1-yl]sulfanyl-4-methylbenzene Traditional Name: 1-[[(4R,6S)-6-benzoxy-5,5-difluoro-4-methyl-cyclohexen-1-yl]thio]-4-methyl-benzene Formula: C21H22F2OS MolecularWeight: 360.460586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C(C1(F)F)OCC2=CC=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CC=C([C@H](C1(F)F)OCC2=CC=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22F2OS/c1-15-8-11-18(12-9-15)25-19-13-10-16(2)21(22,23)20(19)24-14-17-6-4-3-5-7-17/h3-9,11-13,16,20H,10,14H2,1-2H3/t16-,20-/m1/s1