(1R,3S)-5-(3,4-dimethylphenyl)adamantan-2-one

Systemtic Name: (1R,3S)-5-(3,4-dimethylphenyl)adamantan-2-one Openeye Name: (1R,3S)-5-(3,4-dimethylphenyl)adamantan-2-one CAS Name: (1R,3S)-5-(3,4-dimethylphenyl)-2-adamantanone IUPAC Name: (1R,3S)-5-(3,4-dimethylphenyl)adamantan-2-one Traditional Name: (1R,3S)-5-(3,4-dimethylphenyl)adamantan-2-one Formula: C18H22O MolecularWeight: 254.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)C(=O)C(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23C[C@H]4CC(C2)C[C@@H](C3)C4=O)C

InChI

InChI=1S/C18H22O/c1-11-3-4-16(5-12(11)2)18-8-13-6-14(9-18)17(19)15(7-13)10-18/h3-5,13-15H,6-10H2,1-2H3/t13?,14-,15+,18?