1-methoxy-2-methyl-4-propan-2-yl-benzene; (phenylmethyl)benzene; dihydrate; dihydrochloride

Systemtic Name: 1-methoxy-2-methyl-4-propan-2-yl-benzene; (phenylmethyl)benzene; dihydrate; dihydrochloride Openeye Name: benzylbenzene; 4-isopropyl-1-methoxy-2-methyl-benzene; dihydrate; dihydrochloride CAS Name: 1-methoxy-2-methyl-4-propan-2-ylbenzene; (phenylmethyl)benzene; dihydrate; dihydrochloride IUPAC Name: benzylbenzene; 1-methoxy-2-methyl-4-propan-2-ylbenzene; dihydrate; dihydrochloride Traditional Name: benzylbenzene; 4-isopropyl-1-methoxy-2-methyl-benzene; dihydrate; dihydrochloride Formula: C24H34Cl2O3 MolecularWeight: 441.43096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)C)OC.C1=CC=C(C=C1)CC2=CC=CC=C2.O.O.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)C)OC.C1=CC=C(C=C1)CC2=CC=CC=C2.O.O.Cl.Cl

InChI

InChI=1S/C13H12.C11H16O.2ClH.2H2O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8(2)10-5-6-11(12-4)9(3)7-10;;;;/h1-10H,11H2;5-8H,1-4H3;2*1H;2*1H2