1-(chloromethyl)-4-(2-methylpropyl)-2-propyl-benzene; 5-methylhexan-3-ylbenzene

Systemtic Name: 1-(chloromethyl)-4-(2-methylpropyl)-2-propyl-benzene; 5-methylhexan-3-ylbenzene Openeye Name: 1-(chloromethyl)-4-isobutyl-2-propyl-benzene; (1-ethyl-3-methyl-butyl)benzene CAS Name: 1-(chloromethyl)-4-(2-methylpropyl)-2-propylbenzene; 5-methylhexan-3-ylbenzene IUPAC Name: 1-(chloromethyl)-4-(2-methylpropyl)-2-propylbenzene; 5-methylhexan-3-ylbenzene Traditional Name: 1-(chloromethyl)-4-isobutyl-2-propyl-benzene; (1-ethyl-3-methyl-butyl)benzene Formula: C27H41Cl MolecularWeight: 401.06744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC(C)C)CCl.CCC(CC(C)C)C1=CC=CC=C1

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC(C)C)CCl.CCC(CC(C)C)C1=CC=CC=C1

InChI

InChI=1S/C14H21Cl.C13H20/c1-4-5-13-9-12(8-11(2)3)6-7-14(13)10-15;1-4-12(10-11(2)3)13-8-6-5-7-9-13/h6-7,9,11H,4-5,8,10H2,1-3H3;5-9,11-12H,4,10H2,1-3H3