(2R,3S,4R,6S)-3,4-bis(bromanyl)-2-octyl-6-phenethyl-oxane

Systemtic Name: (2R,3S,4R,6S)-3,4-bis(bromanyl)-2-octyl-6-phenethyl-oxane Openeye Name: (2R,3S,4R,6S)-3,4-dibromo-2-octyl-6-phenethyl-tetrahydropyran CAS Name: (2R,3S,4R,6S)-3,4-dibromo-2-octyl-6-phenethyloxane IUPAC Name: (2R,3S,4R,6S)-3,4-dibromo-2-octyl-6-phenethyloxane Traditional Name: (2R,3S,4R,6S)-3,4-dibromo-2-octyl-6-phenethyl-tetrahydropyran Formula: C21H32Br2O MolecularWeight: 460.28618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(CC(O1)CCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H]([C@@H](C[C@@H](O1)CCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C21H32Br2O/c1-2-3-4-5-6-10-13-20-21(23)19(22)16-18(24-20)15-14-17-11-8-7-9-12-17/h7-9,11-12,18-21H,2-6,10,13-16H2,1H3/t18-,19+,20+,21+/m0/s1