2-(1-chloroethyl)-5,5-dimethyl-2-[3-(phenylmethyl)phenyl]-1,3-dioxane

Systemtic Name: 2-(1-chloroethyl)-5,5-dimethyl-2-[3-(phenylmethyl)phenyl]-1,3-dioxane Openeye Name: 2-(3-benzylphenyl)-2-(1-chloroethyl)-5,5-dimethyl-1,3-dioxane CAS Name: 2-(1-chloroethyl)-5,5-dimethyl-2-[3-(phenylmethyl)phenyl]-1,3-dioxane IUPAC Name: 2-(3-benzylphenyl)-2-(1-chloroethyl)-5,5-dimethyl-1,3-dioxane Traditional Name: 2-(3-benzylphenyl)-2-(1-chloroethyl)-5,5-dimethyl-1,3-dioxane Formula: C21H25ClO2 MolecularWeight: 344.875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(OCC(CO1)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C1(OCC(CO1)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClO2/c1-16(22)21(23-14-20(2,3)15-24-21)19-11-7-10-18(13-19)12-17-8-5-4-6-9-17/h4-11,13,16H,12,14-15H2,1-3H3