2-bromanyl-3-methyl-6-propan-2-yl-phenol; phenoxybenzene

Systemtic Name: 2-bromanyl-3-methyl-6-propan-2-yl-phenol; phenoxybenzene Openeye Name: 2-bromo-6-isopropyl-3-methyl-phenol; phenoxybenzene CAS Name: 2-bromo-3-methyl-6-propan-2-ylphenol; phenoxybenzene IUPAC Name: 2-bromo-3-methyl-6-propan-2-ylphenol; phenoxybenzene Traditional Name: 2-bromo-6-isopropyl-3-methyl-phenol; phenoxybenzene Formula: C22H23BrO2 MolecularWeight: 399.32082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)O)Br.C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)O)Br.C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C12H10O.C10H13BrO/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(2)8-5-4-7(3)9(11)10(8)12/h1-10H;4-6,12H,1-3H3