1-bromanyl-3-pentyl-benzene; pentylbenzene; phenethylbenzene

Systemtic Name: 1-bromanyl-3-pentyl-benzene; pentylbenzene; phenethylbenzene Openeye Name: 1-bromo-3-pentyl-benzene; pentylbenzene; phenethylbenzene CAS Name: 1-bromo-3-pentylbenzene; pentylbenzene; phenethylbenzene IUPAC Name: 1-bromo-3-pentylbenzene; pentylbenzene; phenethylbenzene Traditional Name: amylbenzene; 1-amyl-3-bromo-benzene; phenethylbenzene Formula: C36H45Br MolecularWeight: 557.6465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=CC=C1)Br.C1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=CC=C1.CCCCCC1=CC(=CC=C1)Br.C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H14.C11H15Br.C11H16/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-3-4-6-10-7-5-8-11(12)9-10;1-2-3-5-8-11-9-6-4-7-10-11/h1-10H,11-12H2;5,7-9H,2-4,6H2,1H3;4,6-7,9-10H,2-3,5,8H2,1H3