1-pentylsulfanyl-3-[2,4,6-tris(bromanyl)phenoxy]propan-2-ol

Systemtic Name: 1-pentylsulfanyl-3-[2,4,6-tris(bromanyl)phenoxy]propan-2-ol Openeye Name: 1-pentylsulfanyl-3-(2,4,6-tribromophenoxy)propan-2-ol CAS Name: 1-(pentylthio)-3-(2,4,6-tribromophenoxy)-2-propanol IUPAC Name: 1-pentylsulfanyl-3-(2,4,6-tribromophenoxy)propan-2-ol Traditional Name: 1-(amylthio)-3-(2,4,6-tribromophenoxy)propan-2-ol Formula: C14H19Br3O2S MolecularWeight: 491.07646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC(COC1=C(C=C(C=C1Br)Br)Br)O

Isomeric SMILES

CCCCCSCC(COC1=C(C=C(C=C1Br)Br)Br)O

InChI

InChI=1S/C14H19Br3O2S/c1-2-3-4-5-20-9-11(18)8-19-14-12(16)6-10(15)7-13(14)17/h6-7,11,18H,2-5,8-9H2,1H3