(1R,3S)-5-[(E)-2-(4-chlorophenyl)ethenyl]adamantan-2-one

Systemtic Name: (1R,3S)-5-[(E)-2-(4-chlorophenyl)ethenyl]adamantan-2-one Openeye Name: (1R,3S)-5-[(E)-2-(4-chlorophenyl)vinyl]adamantan-2-one CAS Name: (1R,3S)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-adamantanone IUPAC Name: (1R,3S)-5-[(E)-2-(4-chlorophenyl)ethenyl]adamantan-2-one Traditional Name: (1R,3S)-5-[(E)-2-(4-chlorophenyl)vinyl]adamantan-2-one Formula: C18H19ClO MolecularWeight: 286.79586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2=O)CC1C3)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClO/c19-16-3-1-12(2-4-16)5-6-18-9-13-7-14(10-18)17(20)15(8-13)11-18/h1-6,13-15H,7-11H2/b6-5+/t13?,14-,15+,18?